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CPXA_PSEPU_2_415

Camphor 5-monooxygenase [Cytochrome P450 family]

Composition of the binding site

Protein chains monomer
A1 (CPXA_PSEPU):30, 60, 84, 86:90, 92:95, 97, 99, 102, 103, 180:195, 197, 245, 248:250, 253, 296:299, 323, 358, 396, 39730, 60, 84, 86:90, 92:95, 97, 99, 102, 103, 180:195, 197, 245, 248:250, 253, 296:299, 323, 358, 396, 397
Cofactors (cF):hem
Metals (Me):Fe

Full PDB list

1akd, 1c8j, 1cp4, 1dz4, 1dz6, 1dz8, 1dz9, 1geb, 1gek, 1gem, 1gjm, 1iwi, 1iwj, 1iwk, 1j51, 1k2o, 1lwl, 1mpw, 1noo, 1o76, 1p2y, 1p7r, 1pha, 1phb, 1phc, 1phd, 1phe, 1phf, 1phg, 1qmq, 1re9, 1rf9, 1t85, 1t86, 1t87, 1t88, 1uyu, 1yrc, 1yrd, 2a1m, 2a1n, 2a1o, 2cp4, 2cpp, 2fe6, 2fer, 2feu, 2frz, 2gqx, 2gr6, 2h7q, 2h7r, 2h7s, 2qbl, 2qbm, 3cp4, 3l61, 3l62, 3oia, 3ol5, 3p6m, 3p6n, 3p6o, 3p6p, 3p6q, 3p6r, 3p6s, 3p6t, 3p6u, 3p6x, 4cpp, 4ek1, 4jws, 4jwu, 4jx1, 4kky, 5cpp, 5wk7, 6cpp, 8cpp (redundant Pocketome entry); 2qbn, 2qbo, 2z97, 2zaw, 2zax, 2zuh, 2zui, 2zuj, 2zwt, 2zwu, 3cpp, 3fwf, 3fwg, 3fwi, 3fwj, 3l63, 3p6v, 3p6w, 3w9c, 3wrh, 3wri, 3wrj, 3wrk, 3wrl, 3wrm, 4cp4, 4g3r, 4l49, 4l4a, 4l4b, 4l4c, 4l4d, 4l4e, 4l4f, 4l4g, 5cp4, 5gxg, 5ik1, 5wk9, 6cp4, 7cpp (unprocessed)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF Me
Y
3
0
N
6
0
S
8
4
C
8
6
F
8
8
I
8
9
P
9
0
E
9
2
A
9
3
G
9
4
E
9
5
Y
9
7
F
9
9
T
1
0
2
S
1
0
3
M
1
8
5
T
1
8
6
R
1
8
7
P
1
8
8
F
1
9
4
L
2
4
5
V
2
4
8
G
2
4
9
T
2
5
3
V
2
9
6
D
2
9
8
G
2
9
9
Q
3
2
3
C
3
5
8
I
3
9
6
V
3
9
7
[1]1c8j.a none . . . . W . . . . . . F . . . . . . . . . . . . . . . . . . . hem Fe
[1]1cp4.a bnz6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]1dz8.a cam11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]1geb.a cam11 . . . . . . . . . . . . . . . . . . . . . . . I . . . . . . . hem Fe
[1]1j51.a tcz9 . . . . W . . . . . . F . . . . . . . . . L . . . . . . . . . hem Fe
[1]1mpw.a tmh10 . . . . W . . . . . . F . . . . . . . . . L . . . . . . . . . hem Fe
[1]1noo.a cah12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]1p2y.a nct12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]1pha.a pfz22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]1phd.a piw11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]1phe.a piy11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]1phf.a pim11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]1phg.a myt17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]2a1o.a cam11 . . . . . . . . . . . . . . . . . . . . . . . A . . . . . . . hem Fe
[1]2fe6.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2frz.a none . . . . W . . . . . . F . . . . . . . . . L . . . . . . . . . hem Fe
[1]2gqx.a 5cl11 . . . . W . . . . . . F . . . . . . . . A L . . . . . . . . . Fe
[1]2gr6.a none . . . . W . . . . . . F . . . . . . . . A L . . . . . . . . . hem Fe
[1]2h7r.a 1mz6 . . . . . . . . . . . . . . . . . . . . A . . . . . . . . . . hem Fe
[1]2h7s.a none . . . . . . . . . . . . . . . . . . . . A . . . . . . . . . . hem Fe
[1]2qbl.a cam11 . . . . . . . . . . . . . . . . . . . . . . T . . . . . . . . hem Fe
[1]4cpp.a adm10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]4ek1.a cam11 . . . S . . . . . . . . . . . . . . . . . . . . . . . . . . . Fe
[1]4kky.x cam11 . . . S . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]5cpp.a ado11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]5wk7.a cah12 . . . . . . . . . . . . . . . . . A . . . . . . . . . . . . . hem Fe
[1]6cpp.a cae10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]8cpp.a tcm11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]1k2o.a rfa,rfb,U,U140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]1qmq.a drb,lrb,U,U118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]1rf9.a dbr34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]3p6t.a sbf39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]3p6x.a c3q14 . . . . . . . - - - - . . . . . . . . . . . . . . . . . . . . hem Fe
[2]4jwu.a none . . . S . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]4jx1.a cah,cam23 . . . S . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[3]3oia.a a3130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[3]3ol5.a saw39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Fe
[3]3p6n.a dso38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Fe
[3]3p6o.a etg38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[3]3p6p.a a6b35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[4]1gjm.a fe,fem20 . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

[download in TSV format]
   
PDB.ch
A1 cF Me
Y
3
0
N
6
0
S
8
4
C
8
6
P
8
7
F
8
8
I
8
9
P
9
0
E
9
2
A
9
3
G
9
4
E
9
5
Y
9
7
F
9
9
T
1
0
2
S
1
0
3
Y
1
8
0
L
1
8
1
T
1
8
2
D
1
8
3
Q
1
8
4
M
1
8
5
T
1
8
6
R
1
8
7
P
1
8
8
D
1
8
9
G
1
9
0
S
1
9
1
M
1
9
2
T
1
9
3
F
1
9
4
A
1
9
5
A
1
9
7
L
2
4
5
V
2
4
8
G
2
4
9
G
2
5
0
T
2
5
3
V
2
9
6
A
2
9
7
D
2
9
8
G
2
9
9
Q
3
2
3
C
3
5
8
I
3
9
6
V
3
9
7
[1]1c8j.a . . . . * W . . . . . . F . . . . . . . * * * . * . * * * * * . . . . . . . . . . . . . . . hem Fe
[1]1cp4.a . . . . * * . . . . . . * . . . . . . . * * * . * * * * * * * . . * . . . . . . . . . . . . hem Fe
[1]1dz8.a . . . . * * . . . . . . . . . . . . . . * * * . * * * * * * * . . . . . . . . . . . . . . . hem Fe
[1]1geb.a . . . . * * . . . . . . . . . . . . . . * * * . * * * * * * * . . * . . . I . . . . . . . . hem Fe
[1]1j51.a . . . . * W . . . . . . F . . . . . . . * * * . * * * * * * * . . . L . . . . . . . . . . . hem Fe
[1]1mpw.a . . . . * W . . . . . . F . . . . . . . * * * . * * * . * * * . . . L . . . . . . . . . . . hem Fe
[1]1noo.a . . . . * * . . . . . . . . . . . . . . * * * . * * * * * * * . . * . . . . . . . . . . . . hem Fe
[1]1p2y.a . . . . * * . . . . . . . . . . . . . . * * * . * * * . * * * . . * . . . . . . . . . . . . hem Fe
[1]1pha.a . . . . * * . . . . . . * . . . . . . . * * * . * * * * . * * . . * . . . . . . . . . . . . hem Fe
[1]1phd.a . . . . * * . . . . . . . . . . . . . . * * * . * * * * * * * . . * . . . . . . . . . . . . hem Fe
[1]1phe.a . . . . * * . . . . . . . . . . . . . . * * * . * * * * * * * . . * . . . . . . . . . . . . hem Fe
[1]1phf.a . . . . * * . . . . . . . . . . . . . . * * * . * * * * * * * . . * . . . . . . . . . . . . hem Fe
[1]1phg.a . . . . * * . . . . . . . . . . . . . . * * * . * * * * * * * . . * . . . . . . . . . . . . hem Fe
[1]2a1o.a . . . . * * . . . . . . . . . . . . . . * * * . * . * * * * * . . . . . . A . . . . . . . . hem Fe
[1]2fe6.a . . . . * * . . . . . . . . . . . . . . * * * . * * * . * * * . . * . . . . . . . . . . . .
[1]2frz.a . . . . * W . . . . . . F . . . . . . . * * * . * . * * * * * . . * L . . . . . . . . . . . hem Fe
[1]2gqx.a . . . . * W . . . . . . F . . . . . . . * * * . * * * * * * * . . A L . . . . . . . . . . . Fe
[1]2gr6.a . . . . * W . . . . . . F . . . . . . . * * * . * . * * * * * . . A L . . . . . . . . . . . hem Fe
[1]2h7r.a . . . . * * . . . . . . . . . . . . . . * * * . * * * * * * * . . A * . . . . . . . . . . . hem Fe
[1]2h7s.a . . . . * * . . . . . . . . . . . . . . * * * . * * * * * * * . . A . . . . . . . . . . . . hem Fe
[1]2qbl.a . . . . * * . . . . . . . . . . . . . . * * * . * * * * * * * . . * . T . . . . . . . . . . hem Fe
[1]4cpp.a . . . . * * . . . . . . . . . . . . . . * * * . * * * * * * * . . * . . . . . . . . . . . . hem Fe
[1]4ek1.a . . . S * * . . . . . . . . . . . . . . * * * . * * * C * * * . . * . . . . . . . . . . . . Fe
[1]4kky.x . . . S * * . . . . . . . . . . . . . . * * * . * * * * * * * . . * . . . . . . . . . . . . hem Fe
[1]5cpp.a . . . . * * . . . . . . * . . . . . . . * * * . * * * * * * * . . * . . . . . . . . . . . . hem Fe
[1]5wk7.a . . . . * * . . . . . . . . . . . . . . * * * A * . * * * * * . . * . . . . . . . . . . . . hem Fe
[1]6cpp.a . . . . * * . . . . . . . . . . . . . . * * * . * * * * * * * . . * . . . . . . . . . . . . hem Fe
[1]8cpp.a . . . . * * . . . . . . . . . . . . . . * * * . * * * * * * * . . * . . . . . . . . . . . . hem Fe
[2]1k2o.a . . . . * * . . . * . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]1qmq.a . . . . * * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]1rf9.a . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . hem Fe
[2]3p6t.a . . . . * * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]3p6x.a . . . . * * . . - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]4jwu.a . . . S * * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]4jx1.a . . . S * * . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[3]3oia.a . . . . * * . . . . . . . . . . . . . . . * . . * * * . . . * . . * . . . . . . . . . . . . hem Fe
[3]3ol5.a . . . . * * . . . . . . . . . . . . . . . * . . * * * . . . . . . * . . . . . . . . . . . . Fe
[3]3p6n.a . . . . * * . . . . . . . . . . . . . . . * . . * * * . . . * . . * . . . . . . . . . . . . Fe
[3]3p6o.a . . . . * * . . . . . . . . . . . . . . . * . . * * * . . . * . . * . . . . . . . . . . . . hem Fe
[3]3p6p.a . . . . * . . . . . . . . . . . . . . . . * . . * * * . . . * . . * . . . . . . . . . . . . hem Fe
[4]1gjm.a . . . * . . . * . . . . * . . . . . . . * * * . * * * * . * * . . . * . . . . . . . . . . . hem Fe

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

zoom: [−] [+]; [view as image]; [download as text]

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1c8j.a is apo
1cp4.a:bnz
1dz8.a:cam
1geb.a:cam
1j51.a:tcz
1mpw.a:tmh
1noo.a:cah
1p2y.a:nct
1pha.a:pfz
1phd.a:piw
1phe.a:piy
1phf.a:pim
1phg.a:myt
2a1o.a:cam
2fe6.a is apo
2frz.a is apo
2gqx.a:5cl
2gr6.a is apo
2h7r.a:1mz
2h7s.a is apo
2qbl.a:cam
4cpp.a:adm
4ek1.a:cam
4kky.x:cam
5cpp.a:ado
5wk7.a:cah
6cpp.a:cae
8cpp.a:tcm
1k2o.a:U,rfa,rfb
1qmq.a:U,drb,lrb
1rf9.a:dbr
3p6t.a:sbf
3p6x.a:c3q
4jwu.a is apo
4jx1.a:cah,cam
3oia.a:a31
3ol5.a:saw
3p6n.a:dso
3p6o.a:etg
3p6p.a:a6b
1gjm.a:fe,fem
[1] 1c8j.a
-
0 0 0.1 0 0 0 0.1 3.9 0.1 0.3 0.5 0.3 0 - - 1.1 - 0.1 - 0 0 0 0 0 0 0.1 0.1 18 12 7.6 4.5 1.4 - 7.2 5.1 4.6 4.8 3.1 5.1 5.4
[1] 1cp4.a -
0
0.1 0.1 0.4 0.1 0 0.1 2.4 0 0.2 0.2 0 0.1 - - 1.4 - 0.1 - 0 0 0.1 0.1 0.1 0.1 0 0 18 11 7.1 3.9 0.4 - 5.3 5.4 3.6 3.2 3.4 5.1 5.2
[1] 1dz8.a - 0
0
0 0.2 0 0 0.1 2.3 0.1 0.1 0.1 0.1 0 - - 0.7 - 0 - 0 0 0 0 0 0 0 0 17 11 7.6 3.4 0.4 - 5.2 4.5 3.5 3.1 3.3 4.6 5.0
[1] 1geb.a - 0.3 0
0
0.3 0.2 0.1 0.2 2.5 0.2 0.2 0.4 0.2 0 - - 1.6 - 0.3 - 0 0 0 0 0 0 0 0 18 12 6.8 3.8 0.5 - 5.4 4.7 4.1 3.8 3.3 5.4 4.7
[1] 1j51.a - 0 0 0
0
0 0 0.2 4.2 0.2 0.9 0.8 0.9 0 - - 1.0 - 0.1 - 0 0 0 0 0 0 0 0 19 13 8.2 6.0 1.5 - 6.9 6.3 5.3 5.3 4.6 5.7 5.3
[1] 1mpw.a - 0.1 0.1 0.1 0.6
0
0.1 0.6 4.4 0.6 1.2 0.7 0.8 0.1 - - 0.7 - 0.1 - 0 0 0.1 0 0 0.1 0.1 0.1 18 14 8.2 4.5 0.9 - 6.0 5.5 5.2 4.2 4.6 5.4 5.9
[1] 1noo.a - 0 0 0.1 0.2 0.1
0
0.1 2.6 0.1 0.1 0.2 0.2 0 - - 1.0 - 0.1 - 0 0 0 0 0.1 0.1 0 0 18 12 7.1 4.0 0.5 - 5.0 5.0 4.1 3.9 3.6 5.6 4.6
[1] 1p2y.a - 0 0.1 0.1 0.3 0.1 0.1
0
1.5 0 0.1 0.1 0.1 0.1 - - 1.3 - 0.1 - 0.1 0 0.1 0.1 0.1 0.1 0 0.1 18 13 7.7 4.1 0 - 5.5 4.3 3.9 3.6 3.2 4.8 4.9
[1] 1pha.a - 0 0 0.1 0.6 0.1 0 0
0.4
0.2 0.2 0.1 0.1 0.1 - - 1.3 - 0.1 - 0 0 0.1 0 0 0 0 0 16 12 6.1 4.3 0.1 - 4.5 4.6 4.5 3.9 5.5 4.8 4.7
[1] 1phd.a - 0 0 0.1 0.6 0.1 0 0 2.5
0
0.2 0.2 0.1 0 - - 1.6 - 0.1 - 0 0 0 0 0.1 0 0 0 17 11 7.0 3.8 0.5 - 5.0 4.8 3.8 3.4 3.4 5.3 4.9
[1] 1phe.a - 0.1 0.1 0.1 0.4 0.2 0.1 0.4 2.7 0.3
0
0.3 0.4 0.1 - - 1.0 - 0.1 - 0.1 0 0.1 0.1 0.1 0.1 0 0 19 11 6.7 3.8 0.4 - 5.5 5.8 4.2 3.7 3.8 5.4 4.7
[1] 1phf.a - 0 0 0.1 0.5 0.1 0 0 2.1 0.1 0.2
0
0 0 - - 1.2 - 0 - 0 0 0 0 0 0 0 0 17 11 6.7 3.6 0.3 - 5.2 4.7 3.5 3.3 2.9 4.8 5.4
[1] 1phg.a - 0 0 0.1 0.3 0.1 0 0 2.4 0 0.2 0.2
0
0 - - 1.3 - 0.1 - 0 0 0 0 0.1 0.1 0 0 18 12 7.3 3.8 0.5 - 5.8 5.1 3.4 3.7 3.7 4.7 4.4
[1] 2a1o.a - 0.1 0 0.1 0.1 0 0 0.4 2.5 0.1 0.1 0.1 0.4
0
- - 0.5 - 0 - 0 0 0 0 0.1 0 0 0 18 13 7.4 3.6 0.4 - 5.8 4.8 3.5 3.8 3.7 4.7 4.7
[1] 2fe6.a - 0 0.1 0.1 0.1 0.1 0 0 2.6 0 0.1 0.2 0 0
-
- 1.1 - 0.1 - 0 0 0 0.1 0.1 0.1 0 0 18 12 6.7 3.5 0.4 - 5.2 4.2 3.8 3.4 3.3 4.5 4.9
[1] 2frz.a - 0 0.1 0.2 0.7 0.1 0.1 0.4 4.2 0.5 0.9 0.8 0.6 0.1 -
-
1.2 - 0.1 - 0.1 0 0.1 0 0.1 0 0.1 0.1 19 15 8.4 4.9 1.0 - 6.0 5.7 4.7 4.4 4.0 5.3 6.4
[1] 2gqx.a - 0.1 0.2 0.2 0.7 0 0 0.3 4.2 0.6 1.2 1.0 1.3 0.1 - -
0.1
- 0 - 0.1 0.1 0.1 0 0.2 0 0.1 0.2 20 15 8.5 5.1 1.4 - 6.9 5.8 5.4 4.9 4.7 5.9 6.6
[1] 2gr6.a - 0.2 0.3 0.3 0.8 0.3 0.3 1.3 5.0 0.9 1.5 1.2 1.9 0.3 - - 0.5
-
0.2 - 0.2 0.1 0.3 0.1 0.2 0.1 0.1 0.5 20 14 8.8 5.9 1.6 - 6.7 6.5 5.7 5.1 4.9 6.3 6.8
[1] 2h7r.a - 0.2 0.2 0.3 0.5 0.1 0.2 0.5 3.7 0.4 0.5 0.4 0.5 0.2 - - 0.5 -
0
- 0.2 0.2 0.2 0.2 0.7 0.2 0.2 0.6 19 13 8.7 4.5 1.3 - 6.4 5.5 4.7 4.7 4.5 5.6 5.2
[1] 2h7s.a - 0 0 0 0.3 0 0 0 2.6 0 0.3 0.2 0.1 0 - - 0.5 - 0.1
-
0 0 0 0 0 0 0 0 19 13 7.8 4.2 0.5 - 6.0 4.8 3.8 3.9 3.7 5.1 5.1
[1] 2qbl.a - 0.3 0 0.1 0.5 0.4 0.1 0.6 2.6 0.5 0.1 0.2 0.7 0 - - 1.2 - 0.2 -
0
0 0 0 0.1 0.1 0 0.1 19 13 7.5 4.0 0.4 - 5.3 4.4 3.9 3.8 4.3 4.8 4.9
[1] 4cpp.a - 0 0.1 0.1 0.4 0.1 0 0.1 2.7 0.1 0.2 0.2 0.2 0.1 - - 1.4 - 0.1 - 0
0
0.1 0.1 0.1 0.1 0 0 19 12 7.0 4.0 0.8 - 5.2 6.0 4.2 3.6 4.1 5.7 4.5
[1] 4ek1.a - 0 0 0 0.2 0.1 0 0.1 2.6 0.1 0.1 0.2 0.1 0 - - 1.3 - 0.1 - 0 0
0
0 0 0 0 0 18 13 8.1 4.3 0.5 - 5.6 4.9 4.3 4.4 4.2 5.7 5.9
[1] 4kky.x - 0 0 0 0.2 0.1 0 0.2 2.6 0.2 0.1 0.2 0.2 0 - - 1.0 - 0.1 - 0 0 0
0
0 0 0 0 20 14 7.7 4.5 0.8 - 6.0 5.2 4.2 4.2 4.4 5.7 5.5
[1] 5cpp.a - 0 0 0.1 0.2 0.1 0 0.1 2.5 0.1 0.2 0.2 0.2 0 - - 1.2 - 0.1 - 0 0 0 0.1
0.1
0.1 0 0 19 13 7.3 4.0 0.5 - 5.3 5.5 4.0 3.7 3.7 5.5 4.8
[1] 5wk7.a - 0 0 0 0.3 0.1 0 0.2 2.6 0.2 0.1 0.1 0.1 0 - - 0.9 - 0 - 0 0 0 0 0
0
0 0 17 10 6.3 2.8 0.7 - 5.8 3.2 2.4 2.5 2.8 4.4 4.9
[1] 6cpp.a - 0 0.1 0.1 0.4 0.1 0 0.1 2.3 0.1 0.2 0.2 0.2 0.1 - - 1.4 - 0.1 - 0 0 0.1 0.1 0.1 0.1
0
0 17 11 7.0 3.5 0.5 - 5.1 5.4 3.5 3.5 3.4 5.2 4.8
[1] 8cpp.a - 0 0 0.1 0.2 0.1 0 0.1 2.6 0.1 0.2 0.2 0.2 0 - - 1.3 - 0.1 - 0 0 0 0 0.1 0 0
0
18 12 7.2 3.8 0.5 - 5.2 5.8 4.2 3.6 4.1 5.7 4.4
[2] 1k2o.a - 0.1 0 0 0.2 0 0 0.5 1.8 0.3 0.1 0.1 0.4 0 - - 0.7 - 0.1 - 0 0 0 0 0 0 0 0
0
4.3 2.6 0.8 0.4 - 0.6 0.2 1.1 1.1 0.7 0.7 4.5
[2] 1qmq.a - 0.1 0 0.1 0.7 0.1 0 0.5 1.3 0.3 0.1 0.2 0.5 0.1 - - 0.7 - 0.2 - 0 0 0 0 0 0.1 0 0 1.6
0.5
0.1 0.1 0 - 0.2 0.1 0.1 0.1 0 0 4.0
[2] 1rf9.a - 0.1 0 0.1 0.3 0.1 0 0.5 1.8 0.3 0 0.2 0.6 0 - - 0.8 - 0.1 - 0 0 0 0 0.1 0 0 0 2.2 0.8
0
0.1 0.1 - 0.2 0.1 0.1 0.1 0 0 4.1
[2] 3p6t.a - 0.1 0.1 0.2 0.5 0.2 0 0.5 1.7 0.3 0 0.2 0.7 0.2 - - 0.8 - 0.2 - 0 0 0 0.1 0.1 0.2 0.1 0 2.1 0.7 0.2
0.1
0 - 0.1 0.1 0.2 0.1 0.1 0.1 4.7
[2] 3p6x.a - 0.1 0.1 0.2 0.3 0.2 0 0.7 1.2 0.4 0.1 0.1 0.6 0.1 - - 0.8 - 0.2 - 0.2 0 0.1 0.1 0 0 0 0.1 0.6 0.4 0.1 0.1
0
- 0.1 0.1 0.1 0.1 0.1 0 4.9
[2] 4jwu.a - 0.1 0.1 0.2 0.5 0.1 0 0.6 1.4 0.3 0.5 0.1 1.0 0 - - 0.7 - 0 - 0.1 0 0 0 0.1 0 0 0.1 0.4 1.3 0.6 0.6 0
-
0.1 0.5 0.8 0.5 0.4 0.4 5.9
[2] 4jx1.a - 0.1 0 0 0.2 0 0 0.4 0.6 0.2 0.1 0 0.5 0 - - 0.7 - 0.1 - 0 0 0 0 0 0 0 0 1.0 1.7 0.6 0.1 0 -
0
0.1 0.5 0.2 0.1 0.1 5.1
[3] 3oia.a - 0.1 0 0.1 0.5 0.2 0 0.5 1.1 0.5 0 0.1 0.6 0 - - 1.1 - 0.2 - 0 0 0 0 0.1 0 0 0 8.8 5.1 2.5 0.1 0 - 0.4
0
0.1 0 0 0 4.8
[3] 3ol5.a - 0.1 0 0 0.4 0.1 0 0.5 1.0 0.5 0 0.2 0.5 0 - - 0.9 - 0.1 - 0 0 0 0 0 0 0 0 8.9 4.5 1.2 0 0 - 0.5 0
0
0 0.1 0 4.2
[3] 3p6n.a - 0.1 0 0.1 0.4 0.1 0 0.5 1.4 0.5 0 0.1 0.6 0 - - 1.1 - 0.2 - 0 0 0 0 0.1 0.1 0 0 9.1 4.7 1.5 0 0 - 0.6 0 0.1
0
0 0 4.7
[3] 3p6o.a - 0.1 0 0.1 0.5 0.2 0 0.5 1.2 0.5 0 0.2 0.6 0 - - 1.2 - 0.3 - 0 0 0 0 0.1 0 0 0 9.5 5.1 1.7 0.1 0 - 0.4 0.1 0.2 0.1
0
0 5.0
[3] 3p6p.a - 0.1 0.1 0.1 0.4 0.3 0 0.5 1.9 0.5 0 0.1 0.6 0.1 - - 1.1 - 0.3 - 0 0 0 0.1 0.1 0.1 0 0.1 8.0 4.2 2.0 0.1 0.1 - 0.3 0.1 0.1 0.1 0.1
0.1
4.3
[4] 1gjm.a - 0.1 0 0 0.2 0 0 0.2 1.7 0.1 0.4 0.1 0.2 0 - - 0.8 - 0 - 0 0 0 0 0 0 0 0 19 15 8.6 5.2 0.4 - 5.5 5.5 5.9 6.5 6.6 7.3
0.4
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (4 clusters)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1c8j.a
1cp4.a
1dz8.a
1geb.a
1j51.a
1mpw.a
1noo.a
1p2y.a
1pha.a
1phd.a
1phe.a
1phf.a
1phg.a
2a1o.a
2fe6.a
2frz.a
2gqx.a
2gr6.a
2h7r.a
2h7s.a
2qbl.a
4cpp.a
4ek1.a
4kky.x
5cpp.a
5wk7.a
6cpp.a
8cpp.a
1k2o.a
1qmq.a
1rf9.a
3p6t.a
3p6x.a
4jwu.a
4jx1.a
3oia.a
3ol5.a
3p6n.a
3p6o.a
3p6p.a
1gjm.a
[1] 1c8j.a
0
.13 .10 .12 .10 .13 .12 .17 .15 .11 .14 .12 .11 .13 .13 .08 .12 .11 .16 .14 .16 .12 .13 .15 .13 .16 .14 .13 .64 .53 .50 .52 .55 .57 .54 .42 .43 .39 .38 .40 .33
[1] 1cp4.a .13
0
.10 .08 .13 .16 .08 .14 .08 .06 .09 .05 .08 .14 .12 .16 .18 .17 .15 .12 .12 .08 .11 .12 .07 .13 .03 .07 .59 .47 .45 .45 .50 .50 .48 .34 .36 .32 .32 .34 .30
[1] 1dz8.a .10 .10
0
.11 .14 .14 .09 .12 .14 .10 .11 .12 .09 .08 .11 .15 .14 .15 .11 .11 .13 .12 .12 .12 .10 .10 .11 .09 .58 .48 .45 .46 .49 .50 .48 .36 .36 .33 .33 .33 .28
[1] 1geb.a .12 .08 .11
0
.15 .18 .07 .14 .11 .06 .11 .07 .06 .12 .14 .14 .17 .16 .14 .13 .14 .09 .12 .14 .09 .11 .08 .07 .63 .49 .47 .49 .52 .54 .52 .40 .41 .38 .38 .38 .31
[1] 1j51.a .10 .13 .14 .15
0
.06 .11 .18 .18 .13 .14 .16 .13 .15 .14 .09 .09 .11 .15 .15 .15 .11 .17 .16 .12 .17 .13 .11 .65 .52 .50 .51 .54 .57 .53 .40 .42 .39 .39 .40 .32
[1] 1mpw.a .13 .16 .14 .18 .06
0
.14 .20 .21 .17 .17 .18 .16 .13 .16 .11 .09 .10 .16 .14 .18 .15 .18 .17 .14 .18 .17 .16 .64 .50 .49 .49 .53 .55 .52 .41 .43 .40 .40 .40 .32
[1] 1noo.a .12 .08 .09 .07 .11 .14
0
.13 .12 .07 .09 .09 .04 .10 .10 .14 .15 .16 .12 .10 .11 .06 .12 .11 .06 .13 .06 .05 .60 .47 .45 .46 .50 .51 .49 .37 .38 .36 .37 .37 .29
[1] 1p2y.a .17 .14 .12 .14 .18 .20 .13
0
.14 .14 .16 .14 .13 .16 .10 .16 .20 .24 .13 .14 .11 .15 .11 .13 .14 .15 .16 .12 .62 .50 .47 .51 .56 .57 .54 .37 .36 .33 .33 .34 .24
[1] 1pha.a .15 .08 .14 .11 .18 .21 .12 .14
0
.08 .14 .07 .11 .17 .17 .16 .21 .21 .17 .16 .18 .13 .15 .18 .13 .13 .08 .12 .58 .46 .44 .45 .49 .50 .47 .36 .37 .34 .31 .34 .32
[1] 1phd.a .11 .06 .10 .06 .13 .17 .07 .14 .08
0
.11 .05 .05 .12 .12 .12 .17 .16 .15 .12 .13 .08 .12 .13 .07 .11 .06 .06 .59 .47 .45 .46 .49 .51 .48 .37 .39 .34 .35 .36 .31
[1] 1phe.a .14 .09 .11 .11 .14 .17 .09 .16 .14 .11
0
.11 .08 .13 .14 .17 .17 .19 .17 .13 .13 .09 .15 .14 .08 .16 .09 .08 .60 .50 .46 .47 .50 .52 .49 .36 .37 .33 .33 .35 .31
[1] 1phf.a .12 .05 .12 .07 .16 .18 .09 .14 .07 .05 .11
0
.09 .14 .14 .15 .18 .17 .14 .13 .14 .10 .13 .16 .10 .11 .06 .10 .57 .46 .43 .43 .48 .50 .46 .34 .37 .32 .31 .33 .29
[1] 1phg.a .11 .08 .09 .06 .13 .16 .04 .13 .11 .05 .08 .09
0
.10 .11 .13 .16 .17 .12 .10 .12 .07 .11 .11 .06 .13 .07 .05 .62 .50 .47 .49 .52 .54 .51 .40 .40 .37 .37 .39 .28
[1] 2a1o.a .13 .14 .08 .12 .15 .13 .10 .16 .17 .12 .13 .14 .10
0
.15 .13 .13 .14 .09 .10 .12 .13 .13 .11 .10 .12 .13 .13 .62 .49 .47 .47 .51 .53 .50 .40 .41 .38 .37 .36 .29
[1] 2fe6.a .13 .12 .11 .14 .14 .16 .10 .10 .17 .12 .14 .14 .11 .15
0
.15 .18 .19 .14 .11 .07 .11 .08 .10 .12 .16 .12 .10 .60 .49 .46 .48 .51 .53 .50 .35 .36 .34 .35 .36 .29
[1] 2frz.a .08 .16 .15 .14 .09 .11 .14 .16 .16 .12 .17 .15 .13 .13 .15
0
.09 .12 .14 .15 .16 .14 .15 .17 .14 .17 .16 .14 .67 .54 .52 .54 .57 .59 .56 .43 .46 .42 .40 .41 .32
[1] 2gqx.a .12 .18 .14 .17 .09 .09 .15 .20 .21 .17 .17 .18 .16 .13 .18 .09
0
.07 .13 .16 .17 .16 .17 .17 .14 .18 .19 .16 .69 .57 .54 .55 .58 .60 .58 .45 .47 .43 .42 .43 .33
[1] 2gr6.a .11 .17 .15 .16 .11 .10 .16 .24 .21 .16 .19 .17 .17 .14 .19 .12 .07
0
.16 .16 .18 .17 .20 .20 .15 .19 .19 .17 .66 .54 .52 .53 .56 .57 .56 .44 .47 .42 .42 .43 .37
[1] 2h7r.a .16 .15 .11 .14 .15 .16 .12 .13 .17 .15 .17 .14 .12 .09 .14 .14 .13 .16
0
.11 .13 .14 .14 .11 .14 .13 .16 .14 .65 .51 .50 .50 .54 .56 .54 .40 .42 .39 .36 .38 .24
[1] 2h7s.a .14 .12 .11 .13 .15 .14 .10 .14 .16 .12 .13 .13 .10 .10 .11 .15 .16 .16 .11
0
.12 .13 .12 .11 .10 .14 .13 .12 .63 .52 .50 .50 .54 .55 .53 .40 .43 .39 .38 .40 .30
[1] 2qbl.a .16 .12 .13 .14 .15 .18 .11 .11 .18 .13 .13 .14 .12 .12 .07 .16 .17 .18 .13 .12
0
.13 .09 .09 .10 .16 .14 .10 .63 .51 .49 .49 .54 .56 .53 .36 .37 .33 .35 .37 .27
[1] 4cpp.a .12 .08 .12 .09 .11 .15 .06 .15 .13 .08 .09 .10 .07 .13 .11 .14 .16 .17 .14 .13 .13
0
.13 .13 .07 .15 .07 .05 .63 .50 .48 .49 .53 .54 .51 .38 .39 .37 .38 .39 .30
[1] 4ek1.a .13 .11 .12 .12 .17 .18 .12 .11 .15 .12 .15 .13 .11 .13 .08 .15 .17 .20 .14 .12 .09 .13
0
.06 .11 .16 .13 .11 .62 .53 .50 .52 .55 .53 .54 .39 .40 .36 .36 .37 .28
[1] 4kky.x .15 .12 .12 .14 .16 .17 .11 .13 .18 .13 .14 .16 .11 .11 .10 .17 .17 .20 .11 .11 .09 .13 .06
0
.10 .16 .14 .13 .63 .54 .51 .53 .56 .55 .55 .40 .41 .37 .38 .39 .26
[1] 5cpp.a .13 .07 .10 .09 .12 .14 .06 .14 .13 .07 .08 .10 .06 .10 .12 .14 .14 .15 .14 .10 .10 .07 .11 .10
0
.13 .08 .05 .63 .51 .48 .49 .53 .54 .51 .38 .40 .36 .36 .38 .28
[1] 5wk7.a .16 .13 .10 .11 .17 .18 .13 .15 .13 .11 .16 .11 .13 .12 .16 .17 .18 .19 .13 .14 .16 .15 .16 .16 .13
0
.13 .14 .60 .48 .44 .46 .50 .52 .49 .37 .39 .36 .33 .34 .28
[1] 6cpp.a .14 .03 .11 .08 .13 .17 .06 .16 .08 .06 .09 .06 .07 .13 .12 .16 .19 .19 .16 .13 .14 .07 .13 .14 .08 .13
0
.07 .57 .45 .43 .44 .47 .49 .46 .33 .35 .32 .33 .34 .31
[1] 8cpp.a .13 .07 .09 .07 .11 .16 .05 .12 .12 .06 .08 .10 .05 .13 .10 .14 .16 .17 .14 .12 .10 .05 .11 .13 .05 .14 .07
0
.63 .50 .49 .50 .53 .55 .52 .38 .39 .36 .37 .39 .30
[2] 1k2o.a .64 .59 .58 .63 .65 .64 .60 .62 .58 .59 .60 .57 .62 .62 .60 .67 .69 .66 .65 .63 .63 .63 .62 .63 .63 .60 .57 .63
0
.17 .16 .16 .14 .12 .13 .34 .35 .37 .37 .33 .75
[2] 1qmq.a .53 .47 .48 .49 .52 .50 .47 .50 .46 .47 .50 .46 .50 .49 .49 .54 .57 .54 .51 .52 .51 .50 .53 .54 .51 .48 .45 .50 .17
0
.06 .05 .07 .11 .10 .23 .24 .27 .27 .24 .65
[2] 1rf9.a .50 .45 .45 .47 .50 .49 .45 .47 .44 .45 .46 .43 .47 .47 .46 .52 .54 .52 .50 .50 .49 .48 .50 .51 .48 .44 .43 .49 .16 .06
0
.06 .09 .11 .09 .19 .21 .23 .23 .18 .61
[2] 3p6t.a .52 .45 .46 .49 .51 .49 .46 .51 .45 .46 .47 .43 .49 .47 .48 .54 .55 .53 .50 .50 .49 .49 .52 .53 .49 .46 .44 .50 .16 .05 .06
0
.06 .09 .07 .21 .24 .24 .23 .22 .64
[2] 3p6x.a .55 .50 .49 .52 .54 .53 .50 .56 .49 .49 .50 .48 .52 .51 .51 .57 .58 .56 .54 .54 .54 .53 .55 .56 .53 .50 .47 .53 .14 .07 .09 .06
0
.05 .07 .26 .29 .30 .29 .26 .69
[2] 4jwu.a .57 .50 .50 .54 .57 .55 .51 .57 .50 .51 .52 .50 .54 .53 .53 .59 .60 .57 .56 .55 .56 .54 .53 .55 .54 .52 .49 .55 .12 .11 .11 .09 .05
0
.07 .29 .31 .32 .31 .28 .71
[2] 4jx1.a .54 .48 .48 .52 .53 .52 .49 .54 .47 .48 .49 .46 .51 .50 .50 .56 .58 .56 .54 .53 .53 .51 .54 .55 .51 .49 .46 .52 .13 .10 .09 .07 .07 .07
0
.24 .27 .28 .27 .25 .67
[3] 3oia.a .42 .34 .36 .40 .40 .41 .37 .37 .36 .37 .36 .34 .40 .40 .35 .43 .45 .44 .40 .40 .36 .38 .39 .40 .38 .37 .33 .38 .34 .23 .19 .21 .26 .29 .24
0
.06 .05 .06 .08 .50
[3] 3ol5.a .43 .36 .36 .41 .42 .43 .38 .36 .37 .39 .37 .37 .40 .41 .36 .46 .47 .47 .42 .43 .37 .39 .40 .41 .40 .39 .35 .39 .35 .24 .21 .24 .29 .31 .27 .06
0
.08 .10 .10 .50
[3] 3p6n.a .39 .32 .33 .38 .39 .40 .36 .33 .34 .34 .33 .32 .37 .38 .34 .42 .43 .42 .39 .39 .33 .37 .36 .37 .36 .36 .32 .36 .37 .27 .23 .24 .30 .32 .28 .05 .08
0
.05 .08 .46
[3] 3p6o.a .38 .32 .33 .38 .39 .40 .37 .33 .31 .35 .33 .31 .37 .37 .35 .40 .42 .42 .36 .38 .35 .38 .36 .38 .36 .33 .33 .37 .37 .27 .23 .23 .29 .31 .27 .06 .10 .05
0
.06 .46
[3] 3p6p.a .40 .34 .33 .38 .40 .40 .37 .34 .34 .36 .35 .33 .39 .36 .36 .41 .43 .43 .38 .40 .37 .39 .37 .39 .38 .34 .34 .39 .33 .24 .18 .22 .26 .28 .25 .08 .10 .08 .06
0
.47
[4] 1gjm.a .33 .30 .28 .31 .32 .32 .29 .24 .32 .31 .31 .29 .28 .29 .29 .32 .33 .37 .24 .30 .27 .30 .28 .26 .28 .28 .31 .30 .75 .65 .61 .64 .69 .71 .67 .50 .50 .46 .46 .47
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.5 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1c8j.a
1cp4.a
1dz8.a
1geb.a
1j51.a
1mpw.a
1noo.a
1p2y.a
1pha.a
1phd.a
1phe.a
1phf.a
1phg.a
2a1o.a
2fe6.a
2frz.a
2gqx.a
2gr6.a
2h7r.a
2h7s.a
2qbl.a
4cpp.a
4ek1.a
4kky.x
5cpp.a
5wk7.a
6cpp.a
8cpp.a
1k2o.a
1qmq.a
1rf9.a
3p6t.a
3p6x.a
4jwu.a
4jx1.a
3oia.a
3ol5.a
3p6n.a
3p6o.a
3p6p.a
1gjm.a
[1] 1c8j.a
0
0.4 0.3 0.3 0.3 0.3 0.4 0.4 0.6 0.4 0.5 0.5 0.3 0.3 0.4 0.2 0.3 0.4 0.5 0.5 0.4 0.4 0.4 0.4 0.4 0.6 0.4 0.4 4.6 3.8 3.5 3.8 4.4 4.1 3.8 2.3 2.2 2.2 2.2 2.2 2.2
[1] 1cp4.a 0.4
0
0.4 0.3 0.4 0.4 0.3 0.4 0.4 0.2 0.4 0.2 0.2 0.5 0.3 0.4 0.5 0.5 0.6 0.4 0.4 0.2 0.5 0.5 0.2 0.7 0.2 0.2 4.5 3.8 3.5 3.8 4.4 4.0 3.8 2.2 2.2 2.2 2.2 2.2 2.3
[1] 1dz8.a 0.3 0.4
0
0.3 0.3 0.3 0.4 0.5 0.6 0.5 0.4 0.5 0.4 0.2 0.4 0.4 0.3 0.4 0.5 0.5 0.5 0.4 0.4 0.4 0.4 0.4 0.4 0.4 4.4 3.7 3.4 3.7 4.3 4.0 3.7 2.1 2.1 2.1 2.1 2.1 2.2
[1] 1geb.a 0.3 0.3 0.3
0
0.3 0.3 0.3 0.5 0.5 0.4 0.4 0.4 0.3 0.3 0.4 0.4 0.4 0.4 0.6 0.5 0.4 0.3 0.4 0.4 0.3 0.5 0.3 0.3 4.5 3.7 3.5 3.7 4.3 4.0 3.8 2.1 2.1 2.1 2.1 2.1 2.2
[1] 1j51.a 0.3 0.4 0.3 0.3
0
0.2 0.3 0.5 0.6 0.5 0.5 0.5 0.4 0.3 0.4 0.3 0.3 0.3 0.6 0.5 0.4 0.4 0.4 0.5 0.4 0.5 0.4 0.4 4.5 3.7 3.5 3.7 4.3 4.0 3.8 2.2 2.2 2.1 2.2 2.1 2.2
[1] 1mpw.a 0.3 0.4 0.3 0.3 0.2
0
0.3 0.5 0.6 0.5 0.4 0.5 0.4 0.2 0.4 0.4 0.3 0.3 0.6 0.5 0.4 0.4 0.5 0.5 0.4 0.5 0.4 0.4 4.5 3.7 3.5 3.7 4.3 4.0 3.8 2.2 2.2 2.2 2.2 2.1 2.2
[1] 1noo.a 0.4 0.3 0.4 0.3 0.3 0.3
0
0.4 0.4 0.3 0.4 0.4 0.2 0.4 0.3 0.4 0.4 0.5 0.5 0.5 0.3 0.2 0.4 0.4 0.2 0.6 0.2 0.2 4.5 3.8 3.5 3.8 4.4 4.1 3.8 2.2 2.1 2.1 2.2 2.1 2.3
[1] 1p2y.a 0.4 0.4 0.5 0.5 0.5 0.5 0.4
0
0.5 0.4 0.6 0.5 0.4 0.5 0.2 0.4 0.5 0.7 0.6 0.4 0.2 0.5 0.4 0.5 0.4 0.7 0.5 0.4 4.5 3.8 3.5 3.8 4.4 4.1 3.8 2.2 2.2 2.2 2.2 2.2 2.3
[1] 1pha.a 0.6 0.4 0.6 0.5 0.6 0.6 0.4 0.5
0
0.4 0.6 0.4 0.4 0.6 0.5 0.6 0.6 0.7 0.7 0.6 0.5 0.4 0.6 0.6 0.4 0.8 0.3 0.4 4.5 3.8 3.5 3.7 4.4 4.0 3.7 2.2 2.1 2.1 2.2 2.1 2.4
[1] 1phd.a 0.4 0.2 0.5 0.4 0.5 0.5 0.3 0.4 0.4
0
0.5 0.2 0.2 0.5 0.4 0.4 0.5 0.6 0.6 0.5 0.4 0.3 0.5 0.5 0.3 0.7 0.2 0.2 4.5 3.8 3.6 3.8 4.4 4.0 3.8 2.2 2.2 2.2 2.2 2.2 2.3
[1] 1phe.a 0.5 0.4 0.4 0.4 0.5 0.4 0.4 0.6 0.6 0.5
0
0.5 0.4 0.4 0.5 0.5 0.5 0.5 0.7 0.6 0.5 0.4 0.5 0.5 0.4 0.7 0.4 0.4 4.5 3.8 3.6 3.8 4.4 4.1 3.8 2.2 2.2 2.2 2.2 2.2 2.3
[1] 1phf.a 0.5 0.2 0.5 0.4 0.5 0.5 0.4 0.5 0.4 0.2 0.5
0
0.3 0.6 0.5 0.5 0.5 0.6 0.6 0.5 0.5 0.3 0.6 0.6 0.3 0.8 0.3 0.3 4.5 3.8 3.5 3.8 4.4 4.0 3.8 2.2 2.2 2.2 2.2 2.2 2.4
[1] 1phg.a 0.3 0.2 0.4 0.3 0.4 0.4 0.2 0.4 0.4 0.2 0.4 0.3
0
0.4 0.3 0.3 0.4 0.5 0.5 0.4 0.3 0.2 0.4 0.4 0.2 0.6 0.2 0.2 4.5 3.8 3.6 3.8 4.4 4.1 3.8 2.2 2.2 2.2 2.2 2.2 2.2
[1] 2a1o.a 0.3 0.5 0.2 0.3 0.3 0.2 0.4 0.5 0.6 0.5 0.4 0.6 0.4
0
0.5 0.3 0.2 0.3 0.5 0.5 0.5 0.4 0.4 0.5 0.4 0.5 0.5 0.4 4.5 3.8 3.5 3.7 4.4 4.0 3.8 2.2 2.2 2.2 2.2 2.2 2.2
[1] 2fe6.a 0.4 0.3 0.4 0.4 0.4 0.4 0.3 0.2 0.5 0.4 0.5 0.5 0.3 0.5
0
0.3 0.5 0.6 0.6 0.4 0.2 0.4 0.4 0.4 0.3 0.7 0.4 0.3 4.6 3.8 3.5 3.8 4.4 4.1 3.8 2.2 2.2 2.2 2.2 2.2 2.2
[1] 2frz.a 0.2 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.6 0.4 0.5 0.5 0.3 0.3 0.3
0
0.3 0.5 0.5 0.5 0.3 0.4 0.3 0.4 0.4 0.7 0.5 0.4 4.6 3.9 3.6 3.9 4.5 4.2 3.9 2.3 2.3 2.3 2.3 2.3 2.2
[1] 2gqx.a 0.3 0.5 0.3 0.4 0.3 0.3 0.4 0.5 0.6 0.5 0.5 0.5 0.4 0.2 0.5 0.3
0
0.2 0.5 0.5 0.5 0.5 0.4 0.5 0.4 0.6 0.5 0.4 4.6 3.8 3.5 3.8 4.4 4.1 3.8 2.2 2.2 2.2 2.2 2.2 2.2
[1] 2gr6.a 0.4 0.5 0.4 0.4 0.3 0.3 0.5 0.7 0.7 0.6 0.5 0.6 0.5 0.3 0.6 0.5 0.2
0
0.6 0.6 0.6 0.5 0.6 0.6 0.5 0.6 0.5 0.5 4.5 3.8 3.5 3.7 4.4 4.0 3.8 2.2 2.2 2.2 2.2 2.2 2.2
[1] 2h7r.a 0.5 0.6 0.5 0.6 0.6 0.6 0.5 0.6 0.7 0.6 0.7 0.6 0.5 0.5 0.6 0.5 0.5 0.6
0
0.5 0.6 0.6 0.5 0.5 0.5 0.7 0.6 0.6 4.6 3.9 3.6 3.9 4.5 4.2 3.9 2.3 2.2 2.2 2.3 2.2 2.3
[1] 2h7s.a 0.5 0.4 0.5 0.5 0.5 0.5 0.5 0.4 0.6 0.5 0.6 0.5 0.4 0.5 0.4 0.5 0.5 0.6 0.5
0
0.4 0.5 0.5 0.5 0.4 0.7 0.5 0.4 4.6 3.8 3.6 3.8 4.4 4.1 3.9 2.2 2.2 2.2 2.2 2.2 2.3
[1] 2qbl.a 0.4 0.4 0.5 0.4 0.4 0.4 0.3 0.2 0.5 0.4 0.5 0.5 0.3 0.5 0.2 0.3 0.5 0.6 0.6 0.4
0
0.4 0.3 0.4 0.3 0.7 0.4 0.3 4.6 3.9 3.6 3.9 4.5 4.2 3.9 2.3 2.2 2.2 2.3 2.2 2.3
[1] 4cpp.a 0.4 0.2 0.4 0.3 0.4 0.4 0.2 0.5 0.4 0.3 0.4 0.3 0.2 0.4 0.4 0.4 0.5 0.5 0.6 0.5 0.4
0
0.5 0.4 0.2 0.7 0.2 0.1 4.5 3.8 3.6 3.8 4.4 4.1 3.8 2.2 2.2 2.2 2.2 2.2 2.3
[1] 4ek1.a 0.4 0.5 0.4 0.4 0.4 0.5 0.4 0.4 0.6 0.5 0.5 0.6 0.4 0.4 0.4 0.3 0.4 0.6 0.5 0.5 0.3 0.5
0
0.3 0.4 0.7 0.5 0.4 4.6 3.9 3.6 3.8 4.5 4.2 3.9 2.2 2.2 2.2 2.2 2.2 2.3
[1] 4kky.x 0.4 0.5 0.4 0.4 0.5 0.5 0.4 0.5 0.6 0.5 0.5 0.6 0.4 0.5 0.4 0.4 0.5 0.6 0.5 0.5 0.4 0.4 0.3
0
0.4 0.7 0.5 0.4 4.7 4.0 3.7 4.0 4.6 4.2 4.0 2.3 2.2 2.3 2.3 2.3 2.3
[1] 5cpp.a 0.4 0.2 0.4 0.3 0.4 0.4 0.2 0.4 0.4 0.3 0.4 0.3 0.2 0.4 0.3 0.4 0.4 0.5 0.5 0.4 0.3 0.2 0.4 0.4
0
0.7 0.2 0.1 4.6 3.9 3.6 3.8 4.5 4.1 3.9 2.2 2.2 2.2 2.2 2.2 2.3
[1] 5wk7.a 0.6 0.7 0.4 0.5 0.5 0.5 0.6 0.7 0.8 0.7 0.7 0.8 0.6 0.5 0.7 0.7 0.6 0.6 0.7 0.7 0.7 0.7 0.7 0.7 0.7
0
0.6 0.7 4.2 3.5 3.2 3.4 4.0 3.7 3.5 2.0 1.9 1.9 2.0 1.9 2.3
[1] 6cpp.a 0.4 0.2 0.4 0.3 0.4 0.4 0.2 0.5 0.3 0.2 0.4 0.3 0.2 0.5 0.4 0.5 0.5 0.5 0.6 0.5 0.4 0.2 0.5 0.5 0.2 0.6
0
0.2 4.5 3.8 3.5 3.7 4.4 4.0 3.8 2.2 2.1 2.1 2.2 2.1 2.3
[1] 8cpp.a 0.4 0.2 0.4 0.3 0.4 0.4 0.2 0.4 0.4 0.2 0.4 0.3 0.2 0.4 0.3 0.4 0.4 0.5 0.6 0.4 0.3 0.1 0.4 0.4 0.1 0.7 0.2
0
4.5 3.8 3.6 3.8 4.5 4.1 3.9 2.2 2.2 2.2 2.2 2.2 2.3
[2] 1k2o.a 4.6 4.5 4.4 4.5 4.5 4.5 4.5 4.5 4.5 4.5 4.5 4.5 4.5 4.5 4.6 4.6 4.6 4.5 4.6 4.6 4.6 4.5 4.6 4.7 4.6 4.2 4.5 4.5
0
1.6 1.9 1.7 0.8 1.0 1.0 3.1 3.1 3.1 3.1 3.0 5.1
[2] 1qmq.a 3.8 3.8 3.7 3.7 3.7 3.7 3.8 3.8 3.8 3.8 3.8 3.8 3.8 3.8 3.8 3.9 3.8 3.8 3.9 3.8 3.9 3.8 3.9 4.0 3.9 3.5 3.8 3.8 1.6
0
0.6 0.4 0.6 1.1 1.0 2.4 2.4 2.4 2.3 2.3 4.4
[2] 1rf9.a 3.5 3.5 3.4 3.5 3.5 3.5 3.5 3.5 3.5 3.6 3.6 3.5 3.6 3.5 3.5 3.6 3.5 3.5 3.6 3.6 3.6 3.6 3.6 3.7 3.6 3.2 3.5 3.6 1.9 0.6
0
0.6 1.1 1.3 1.2 2.2 2.2 2.2 2.1 2.1 4.1
[2] 3p6t.a 3.8 3.8 3.7 3.7 3.7 3.7 3.8 3.8 3.7 3.8 3.8 3.8 3.8 3.7 3.8 3.9 3.8 3.7 3.9 3.8 3.9 3.8 3.8 4.0 3.8 3.4 3.7 3.8 1.7 0.4 0.6
0
0.7 1.2 1.1 2.3 2.4 2.3 2.3 2.3 4.4
[2] 3p6x.a 4.4 4.4 4.3 4.3 4.3 4.3 4.4 4.4 4.4 4.4 4.4 4.4 4.4 4.4 4.4 4.5 4.4 4.4 4.5 4.4 4.5 4.4 4.5 4.6 4.5 4.0 4.4 4.5 0.8 0.6 1.1 0.7
0
0.9 0.9 2.8 2.9 2.8 2.8 2.8 4.5
[2] 4jwu.a 4.1 4.0 4.0 4.0 4.0 4.0 4.1 4.1 4.0 4.0 4.1 4.0 4.1 4.0 4.1 4.2 4.1 4.0 4.2 4.1 4.2 4.1 4.2 4.2 4.1 3.7 4.0 4.1 1.0 1.1 1.3 1.2 0.9
0
0.5 2.6 2.7 2.6 2.6 2.6 4.6
[2] 4jx1.a 3.8 3.8 3.7 3.8 3.8 3.8 3.8 3.8 3.7 3.8 3.8 3.8 3.8 3.8 3.8 3.9 3.8 3.8 3.9 3.9 3.9 3.8 3.9 4.0 3.9 3.5 3.8 3.9 1.0 1.0 1.2 1.1 0.9 0.5
0
2.4 2.5 2.4 2.4 2.3 4.4
[3] 3oia.a 2.3 2.2 2.1 2.1 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.3 2.2 2.2 2.3 2.2 2.3 2.2 2.2 2.3 2.2 2.0 2.2 2.2 3.1 2.4 2.2 2.3 2.8 2.6 2.4
0
0.3 0.2 0.3 0.4 3.1
[3] 3ol5.a 2.2 2.2 2.1 2.1 2.2 2.2 2.1 2.2 2.1 2.2 2.2 2.2 2.2 2.2 2.2 2.3 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.2 1.9 2.1 2.2 3.1 2.4 2.2 2.4 2.9 2.7 2.5 0.3
0
0.2 0.4 0.5 3.1
[3] 3p6n.a 2.2 2.2 2.1 2.1 2.1 2.2 2.1 2.2 2.1 2.2 2.2 2.2 2.2 2.2 2.2 2.3 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.3 2.2 1.9 2.1 2.2 3.1 2.4 2.2 2.3 2.8 2.6 2.4 0.2 0.2
0
0.2 0.3 3.1
[3] 3p6o.a 2.2 2.2 2.1 2.1 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.3 2.2 2.2 2.3 2.2 2.3 2.2 2.2 2.3 2.2 2.0 2.2 2.2 3.1 2.3 2.1 2.3 2.8 2.6 2.4 0.3 0.4 0.2
0
0.3 3.1
[3] 3p6p.a 2.2 2.2 2.1 2.1 2.1 2.1 2.1 2.2 2.1 2.2 2.2 2.2 2.2 2.2 2.2 2.3 2.2 2.2 2.2 2.2 2.2 2.2 2.2 2.3 2.2 1.9 2.1 2.2 3.0 2.3 2.1 2.3 2.8 2.6 2.3 0.4 0.5 0.3 0.3
0
3.1
[4] 1gjm.a 2.2 2.3 2.2 2.2 2.2 2.2 2.3 2.3 2.4 2.3 2.3 2.4 2.2 2.2 2.2 2.2 2.2 2.2 2.3 2.3 2.3 2.3 2.3 2.3 2.3 2.3 2.3 2.3 5.1 4.4 4.1 4.4 4.5 4.6 4.4 3.1 3.1 3.1 3.1 3.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.0 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1c8j.a
1cp4.a
1dz8.a
1geb.a
1j51.a
1mpw.a
1noo.a
1p2y.a
1pha.a
1phd.a
1phe.a
1phf.a
1phg.a
2a1o.a
2fe6.a
2frz.a
2gqx.a
2gr6.a
2h7r.a
2h7s.a
2qbl.a
4cpp.a
4ek1.a
4kky.x
5cpp.a
5wk7.a
6cpp.a
8cpp.a
1k2o.a
1qmq.a
1rf9.a
3p6t.a
3p6x.a
4jwu.a
4jx1.a
3oia.a
3ol5.a
3p6n.a
3p6o.a
3p6p.a
1gjm.a
[1] 1c8j.a
0
0.8 0.8 0.6 0.4 0.6 0.7 0.7 1.4 0.7 0.8 0.8 0.6 0.7 0.6 0.6 0.6 0.7 0.8 0.8 0.7 0.6 0.8 0.8 0.6 0.8 0.6 0.6 4.8 3.9 3.6 3.9 4.5 4.3 4.1 2.6 2.7 2.7 2.7 2.6 2.5
[1] 1cp4.a 0.8
0
0.7 0.7 0.8 0.8 0.3 0.8 1.2 0.4 0.6 0.3 0.5 0.8 0.7 0.8 0.8 0.9 0.7 0.6 0.7 0.6 0.6 0.7 0.6 1.0 0.6 0.6 4.7 3.8 3.5 3.8 4.4 4.2 4.0 2.6 2.6 2.6 2.6 2.6 2.6
[1] 1dz8.a 0.8 0.7
0
0.8 0.8 0.8 0.6 0.8 1.4 0.7 0.7 0.7 0.7 0.7 0.8 0.8 0.7 0.8 0.8 0.7 0.8 0.8 0.5 0.7 0.8 0.7 0.8 0.8 4.6 3.7 3.4 3.7 4.3 4.1 3.9 2.5 2.5 2.5 2.5 2.5 2.6
[1] 1geb.a 0.6 0.7 0.8
0
0.7 0.7 0.7 0.7 1.4 0.7 0.8 0.8 0.7 0.7 0.6 0.6 0.6 0.7 0.9 0.8 0.7 0.4 0.8 0.8 0.4 0.7 0.4 0.4 4.7 3.8 3.5 3.8 4.4 4.2 4.0 2.5 2.5 2.5 2.5 2.5 2.6
[1] 1j51.a 0.4 0.8 0.8 0.7
0
0.5 0.7 0.8 1.4 0.7 0.8 0.8 0.6 0.6 0.7 0.6 0.6 0.7 0.8 0.8 0.7 0.7 0.8 0.9 0.7 0.8 0.7 0.7 4.7 3.8 3.5 3.8 4.4 4.2 4.0 2.6 2.6 2.6 2.6 2.6 2.5
[1] 1mpw.a 0.6 0.8 0.8 0.7 0.5
0
0.7 0.8 1.4 0.8 0.8 0.9 0.7 0.6 0.7 0.4 0.4 0.5 0.8 0.8 0.7 0.7 0.8 0.9 0.7 0.7 0.7 0.6 4.7 3.8 3.5 3.8 4.4 4.2 4.0 2.6 2.6 2.6 2.6 2.6 2.5
[1] 1noo.a 0.7 0.3 0.6 0.7 0.7 0.7
0
0.8 1.3 0.4 0.5 0.4 0.5 0.7 0.7 0.8 0.8 0.8 0.7 0.6 0.6 0.7 0.5 0.6 0.6 0.9 0.7 0.6 4.7 3.8 3.5 3.8 4.4 4.2 4.0 2.5 2.6 2.6 2.6 2.6 2.6
[1] 1p2y.a 0.7 0.8 0.8 0.7 0.8 0.8 0.8
0
1.4 0.8 1.0 0.8 0.8 0.8 0.4 0.7 0.8 0.8 0.8 0.8 0.6 0.7 0.8 0.8 0.6 0.9 0.7 0.6 4.7 3.8 3.5 3.8 4.4 4.2 4.0 2.6 2.6 2.6 2.6 2.6 2.6
[1] 1pha.a 1.4 1.2 1.4 1.4 1.4 1.4 1.3 1.4
0
1.3 1.4 1.2 1.3 1.5 1.4 1.4 1.4 1.5 1.5 1.4 1.4 1.4 1.5 1.5 1.4 1.6 1.3 1.4 4.8 3.9 3.7 4.0 4.5 4.3 4.1 2.8 2.9 2.8 2.8 2.8 2.7
[1] 1phd.a 0.7 0.4 0.7 0.7 0.7 0.8 0.4 0.8 1.3
0
0.6 0.4 0.4 0.8 0.7 0.8 0.8 0.9 0.7 0.6 0.7 0.6 0.7 0.8 0.6 1.0 0.6 0.6 4.7 3.8 3.5 3.8 4.4 4.2 4.0 2.6 2.6 2.6 2.6 2.6 2.6
[1] 1phe.a 0.8 0.6 0.7 0.8 0.8 0.8 0.5 1.0 1.4 0.6
0
0.6 0.6 0.8 0.9 0.9 0.9 0.9 0.9 0.8 0.8 0.8 0.7 0.8 0.8 1.0 0.8 0.8 4.7 3.8 3.5 3.8 4.4 4.2 4.0 2.6 2.6 2.6 2.6 2.6 2.6
[1] 1phf.a 0.8 0.3 0.7 0.8 0.8 0.9 0.4 0.8 1.2 0.4 0.6
0
0.5 0.8 0.8 0.8 0.9 0.9 0.8 0.7 0.8 0.7 0.7 0.8 0.7 1.0 0.7 0.7 4.7 3.8 3.5 3.8 4.4 4.2 4.0 2.6 2.6 2.6 2.6 2.6 2.7
[1] 1phg.a 0.6 0.5 0.7 0.7 0.6 0.7 0.5 0.8 1.3 0.4 0.6 0.5
0
0.7 0.7 0.7 0.7 0.8 0.7 0.6 0.8 0.7 0.7 0.7 0.6 0.9 0.6 0.6 4.7 3.8 3.5 3.8 4.4 4.2 4.0 2.6 2.6 2.6 2.6 2.6 2.6
[1] 2a1o.a 0.7 0.8 0.7 0.7 0.6 0.6 0.7 0.8 1.5 0.8 0.8 0.8 0.7
0
0.7 0.6 0.6 0.7 0.8 0.8 0.8 0.7 0.7 0.8 0.7 0.7 0.8 0.7 4.7 3.8 3.5 3.8 4.4 4.2 4.0 2.6 2.6 2.6 2.6 2.6 2.6
[1] 2fe6.a 0.6 0.7 0.8 0.6 0.7 0.7 0.7 0.4 1.4 0.7 0.9 0.8 0.7 0.7
0
0.6 0.7 0.8 0.8 0.8 0.5 0.6 0.7 0.8 0.6 0.8 0.6 0.6 4.7 3.8 3.5 3.8 4.4 4.2 4.1 2.6 2.6 2.6 2.6 2.6 2.6
[1] 2frz.a 0.6 0.8 0.8 0.6 0.6 0.4 0.8 0.7 1.4 0.8 0.9 0.8 0.7 0.6 0.6
0
0.3 0.6 0.8 0.8 0.7 0.6 0.8 0.8 0.6 0.8 0.7 0.6 4.8 3.9 3.6 3.9 4.5 4.3 4.2 2.7 2.7 2.7 2.7 2.7 2.5
[1] 2gqx.a 0.6 0.8 0.7 0.6 0.6 0.4 0.8 0.8 1.4 0.8 0.9 0.9 0.7 0.6 0.7 0.3
0
0.5 0.7 0.8 0.7 0.6 0.8 0.8 0.6 0.8 0.6 0.6 4.8 3.9 3.6 3.9 4.5 4.3 4.1 2.6 2.7 2.6 2.6 2.6 2.5
[1] 2gr6.a 0.7 0.9 0.8 0.7 0.7 0.5 0.8 0.8 1.5 0.9 0.9 0.9 0.8 0.7 0.8 0.6 0.5
0
0.9 0.9 0.8 0.7 0.9 0.9 0.7 0.8 0.7 0.7 4.7 3.8 3.5 3.8 4.4 4.2 4.1 2.6 2.6 2.6 2.6 2.6 2.5
[1] 2h7r.a 0.8 0.7 0.8 0.9 0.8 0.8 0.7 0.8 1.5 0.7 0.9 0.8 0.7 0.8 0.8 0.8 0.7 0.9
0
0.6 0.8 0.8 0.7 0.8 0.8 0.9 0.8 0.8 4.8 3.9 3.6 3.9 4.5 4.3 4.1 2.6 2.7 2.7 2.6 2.7 2.7
[1] 2h7s.a 0.8 0.6 0.7 0.8 0.8 0.8 0.6 0.8 1.4 0.6 0.8 0.7 0.6 0.8 0.8 0.8 0.8 0.9 0.6
0
0.8 0.8 0.8 0.8 0.7 1.0 0.8 0.7 4.8 3.8 3.6 3.8 4.4 4.3 4.1 2.6 2.6 2.6 2.6 2.6 2.7
[1] 2qbl.a 0.7 0.7 0.8 0.7 0.7 0.7 0.6 0.6 1.4 0.7 0.8 0.8 0.8 0.8 0.5 0.7 0.7 0.8 0.8 0.8
0
0.6 0.7 0.7 0.6 0.9 0.6 0.6 4.8 3.9 3.6 3.9 4.5 4.3 4.1 2.6 2.7 2.6 2.6 2.7 2.6
[1] 4cpp.a 0.6 0.6 0.8 0.4 0.7 0.7 0.7 0.7 1.4 0.6 0.8 0.7 0.7 0.7 0.6 0.6 0.6 0.7 0.8 0.8 0.6
0
0.8 0.8 0.3 0.8 0.2 0.3 4.7 3.8 3.5 3.8 4.4 4.2 4.0 2.6 2.6 2.6 2.6 2.6 2.6
[1] 4ek1.a 0.8 0.6 0.5 0.8 0.8 0.8 0.5 0.8 1.5 0.7 0.7 0.7 0.7 0.7 0.7 0.8 0.8 0.9 0.7 0.8 0.7 0.8
0
0.5 0.8 0.9 0.8 0.8 4.8 3.9 3.6 3.8 4.5 4.3 4.1 2.6 2.6 2.6 2.6 2.7 2.6
[1] 4kky.x 0.8 0.7 0.7 0.8 0.9 0.9 0.6 0.8 1.5 0.8 0.8 0.8 0.7 0.8 0.8 0.8 0.8 0.9 0.8 0.8 0.7 0.8 0.5
0
0.8 1.0 0.8 0.8 4.8 4.0 3.7 4.0 4.5 4.3 4.2 2.6 2.6 2.7 2.7 2.7 2.6
[1] 5cpp.a 0.6 0.6 0.8 0.4 0.7 0.7 0.6 0.6 1.4 0.6 0.8 0.7 0.6 0.7 0.6 0.6 0.6 0.7 0.8 0.7 0.6 0.3 0.8 0.8
0
0.8 0.3 0.3 4.7 3.9 3.6 3.9 4.5 4.3 4.1 2.6 2.6 2.6 2.6 2.6 2.6
[1] 5wk7.a 0.8 1.0 0.7 0.7 0.8 0.7 0.9 0.9 1.6 1.0 1.0 1.0 0.9 0.7 0.8 0.8 0.8 0.8 0.9 1.0 0.9 0.8 0.9 1.0 0.8
0
0.8 0.8 4.3 3.4 3.1 3.4 4.0 3.8 3.5 2.2 2.2 2.2 2.2 2.2 2.7
[1] 6cpp.a 0.6 0.6 0.8 0.4 0.7 0.7 0.7 0.7 1.3 0.6 0.8 0.7 0.6 0.8 0.6 0.7 0.6 0.7 0.8 0.8 0.6 0.2 0.8 0.8 0.3 0.8
0
0.3 4.6 3.8 3.5 3.8 4.4 4.2 4.0 2.5 2.6 2.6 2.6 2.6 2.6
[1] 8cpp.a 0.6 0.6 0.8 0.4 0.7 0.6 0.6 0.6 1.4 0.6 0.8 0.7 0.6 0.7 0.6 0.6 0.6 0.7 0.8 0.7 0.6 0.3 0.8 0.8 0.3 0.8 0.3
0
4.7 3.9 3.6 3.9 4.5 4.3 4.1 2.6 2.6 2.6 2.6 2.6 2.6
[2] 1k2o.a 4.8 4.7 4.6 4.7 4.7 4.7 4.7 4.7 4.8 4.7 4.7 4.7 4.7 4.7 4.7 4.8 4.8 4.7 4.8 4.8 4.8 4.7 4.8 4.8 4.7 4.3 4.6 4.7
0
2.1 2.4 2.1 1.1 1.4 1.5 3.2 3.3 3.3 3.3 3.2 5.2
[2] 1qmq.a 3.9 3.8 3.7 3.8 3.8 3.8 3.8 3.8 3.9 3.8 3.8 3.8 3.8 3.8 3.8 3.9 3.9 3.8 3.9 3.8 3.9 3.8 3.9 4.0 3.9 3.4 3.8 3.9 2.1
0
0.9 0.7 0.8 1.5 1.4 2.3 2.4 2.4 2.4 2.3 4.5
[2] 1rf9.a 3.6 3.5 3.4 3.5 3.5 3.5 3.5 3.5 3.7 3.5 3.5 3.5 3.5 3.5 3.5 3.6 3.6 3.5 3.6 3.6 3.6 3.5 3.6 3.7 3.6 3.1 3.5 3.6 2.4 0.9
0
0.8 1.3 1.7 1.6 2.1 2.2 2.2 2.1 2.0 4.3
[2] 3p6t.a 3.9 3.8 3.7 3.8 3.8 3.8 3.8 3.8 4.0 3.8 3.8 3.8 3.8 3.8 3.8 3.9 3.9 3.8 3.9 3.8 3.9 3.8 3.8 4.0 3.9 3.4 3.8 3.9 2.1 0.7 0.8
0
0.8 1.5 1.4 2.2 2.3 2.3 2.3 2.2 4.6
[2] 3p6x.a 4.5 4.4 4.3 4.4 4.4 4.4 4.4 4.4 4.5 4.4 4.4 4.4 4.4 4.4 4.4 4.5 4.5 4.4 4.5 4.4 4.5 4.4 4.5 4.5 4.5 4.0 4.4 4.5 1.1 0.8 1.3 0.8
0
1.0 1.1 2.7 2.8 2.7 2.7 2.7 4.7
[2] 4jwu.a 4.3 4.2 4.1 4.2 4.2 4.2 4.2 4.2 4.3 4.2 4.2 4.2 4.2 4.2 4.2 4.3 4.3 4.2 4.3 4.3 4.3 4.2 4.3 4.3 4.3 3.8 4.2 4.3 1.4 1.5 1.7 1.5 1.0
0
0.6 2.7 2.8 2.7 2.7 2.6 4.8
[2] 4jx1.a 4.1 4.0 3.9 4.0 4.0 4.0 4.0 4.0 4.1 4.0 4.0 4.0 4.0 4.0 4.1 4.2 4.1 4.1 4.1 4.1 4.1 4.0 4.1 4.2 4.1 3.5 4.0 4.1 1.5 1.4 1.6 1.4 1.1 0.6
0
2.5 2.6 2.5 2.5 2.4 4.6
[3] 3oia.a 2.6 2.6 2.5 2.5 2.6 2.6 2.5 2.6 2.8 2.6 2.6 2.6 2.6 2.6 2.6 2.7 2.6 2.6 2.6 2.6 2.6 2.6 2.6 2.6 2.6 2.2 2.5 2.6 3.2 2.3 2.1 2.2 2.7 2.7 2.5
0
0.7 0.6 0.8 0.7 3.6
[3] 3ol5.a 2.7 2.6 2.5 2.5 2.6 2.6 2.6 2.6 2.9 2.6 2.6 2.6 2.6 2.6 2.6 2.7 2.7 2.6 2.7 2.6 2.7 2.6 2.6 2.6 2.6 2.2 2.6 2.6 3.3 2.4 2.2 2.3 2.8 2.8 2.6 0.7
0
0.5 0.9 0.9 3.5
[3] 3p6n.a 2.7 2.6 2.5 2.5 2.6 2.6 2.6 2.6 2.8 2.6 2.6 2.6 2.6 2.6 2.6 2.7 2.6 2.6 2.7 2.6 2.6 2.6 2.6 2.7 2.6 2.2 2.6 2.6 3.3 2.4 2.2 2.3 2.7 2.7 2.5 0.6 0.5
0
0.8 0.9 3.5
[3] 3p6o.a 2.7 2.6 2.5 2.5 2.6 2.6 2.6 2.6 2.8 2.6 2.6 2.6 2.6 2.6 2.6 2.7 2.6 2.6 2.6 2.6 2.6 2.6 2.6 2.7 2.6 2.2 2.6 2.6 3.3 2.4 2.1 2.3 2.7 2.7 2.5 0.8 0.9 0.8
0
0.5 3.6
[3] 3p6p.a 2.6 2.6 2.5 2.5 2.6 2.6 2.6 2.6 2.8 2.6 2.6 2.6 2.6 2.6 2.6 2.7 2.6 2.6 2.7 2.6 2.7 2.6 2.7 2.7 2.6 2.2 2.6 2.6 3.2 2.3 2.0 2.2 2.7 2.6 2.4 0.7 0.9 0.9 0.5
0
3.6
[4] 1gjm.a 2.5 2.6 2.6 2.6 2.5 2.5 2.6 2.6 2.7 2.6 2.6 2.7 2.6 2.6 2.6 2.5 2.5 2.5 2.7 2.7 2.6 2.6 2.6 2.6 2.6 2.7 2.6 2.6 5.2 4.5 4.3 4.6 4.7 4.8 4.6 3.6 3.5 3.5 3.6 3.6
0
[Binding site full-atom RMSD matrix]







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