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AMPN_ECOLI_3_870

Aminopeptidase N [Peptidase M1 family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (AMPN_ECOLI):R: Substrate binding (261:264)
119, 121, 122, 258:260, 274, 275, 281, 293, 294, 297, 298, 301, 319, 320, 327, 373, 376:378, 381, 382, 452:454, 461, 527, 528, 544, 550, 638, 641, 642, 645, 686, 690, 704, 705, 707, 710, 713, 721, 722, 728, 729, 732, 734, 738, 739, 753, 756, 764, 783, 821, 825
119, 121, 122, 258:264, 274, 275, 281, 293, 294, 297, 298, 301, 319, 320, 327, 373, 376:378, 381, 382, 452:454, 461, 527, 528, 544, 550, 638, 641, 642, 645, 686, 690, 704, 705, 707, 710, 713, 721, 722, 728, 729, 732, 734, 738, 739, 753, 756, 764, 783, 821, 825
Metals (Me):Na/Zn

Full PDB list

2dq6, 2dqm, 2hpo, 2hpt, 2zxg, 3b2p, 3b2x, 3b34, 3b37, 3b3b, 3ked, 3puu, 3qjx, 4q4e, 4q4i, 4xmt, 4xmu, 4xmv, 4xmw, 4xmx, 4xmz, 4xn1, 4xn2, 4xn4, 4xn5, 4xn7, 4xn8, 4xn9, 4xna, 4xnb, 4xnd, 4xo3, 4xo4, 4xo5, 5mfr, 5mfs, 5mft (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
Q
1
1
9
E
1
2
1
F
2
5
8
N
2
5
9
M
2
6
0
G
2
6
1
A
2
6
2
M
2
6
3
E
2
6
4
K
2
7
4
Y
2
7
5
D
2
8
1
R
2
9
3
V
2
9
4
H
2
9
7
E
2
9
8
H
3
0
1
K
3
1
9
E
3
2
0
D
3
2
7
N
3
7
3
Y
3
7
6
T
3
7
7
L
3
7
8
Y
3
8
1
E
3
8
2
D
4
5
2
D
4
5
3
Y
4
5
4
Y
4
6
1
Q
5
2
7
P
5
2
8
Q
5
5
0
A
6
3
8
R
6
4
1
E
6
4
2
R
6
8
6
F
6
9
0
F
7
0
4
H
7
0
5
A
7
0
7
M
7
1
0
A
7
1
3
V
7
2
1
A
7
2
2
R
7
2
8
D
7
2
9
M
7
3
2
K
7
3
8
W
7
3
9
Q
7
5
3
S
7
5
6
T
7
6
4
R
7
8
3
Q
8
2
1
R
8
2
5
[1]2hpo.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2hpt.a bes22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2zxg.a s2329 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3b2p.a R12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]3b2x.a K,mli17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]3b34.a F,mli19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]3b37.a Y13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3b3b.a mli,W22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]3ked.a dab,mla15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]3puu.a none . Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3qjx.a na,S8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4q4e.a bb227 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4q4i.a l2oVVD33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xmt.a dpp,mli14 . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xmu.a A6 . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xmv.a R12 . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xmw.a D,na,na11 . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xmx.a bes,mli29 . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xmz.a dab8 . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xn1.a E,na,na12 . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xn2.a L9 . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xn4.a MMMM36 . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xn5.a F,mli19 . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xn7.a dpp7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xn8.a A,mli,mli20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xn9.a bal6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4xna.a b3k,mli18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4xnb.a 3fb,mli20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xnd.a ht7,mli,mli30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4xo3.a L,mli16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4xo4.a MMM27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4xo5.a EE20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5mfr.a 7mk,mli,mli28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]5mfs.a 7ml,mli27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]5mft.a 7mf,mli27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn

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 Me
Q
1
1
9
E
1
2
1
A
1
2
2
F
2
5
8
N
2
5
9
M
2
6
0
G
2
6
1
A
2
6
2
M
2
6
3
E
2
6
4
K
2
7
4
Y
2
7
5
D
2
8
1
R
2
9
3
V
2
9
4
H
2
9
7
E
2
9
8
H
3
0
1
K
3
1
9
E
3
2
0
D
3
2
7
N
3
7
3
Y
3
7
6
T
3
7
7
L
3
7
8
Y
3
8
1
E
3
8
2
D
4
5
2
D
4
5
3
Y
4
5
4
Y
4
6
1
Q
5
2
7
P
5
2
8
Y
5
4
4
Q
5
5
0
A
6
3
8
R
6
4
1
E
6
4
2
T
6
4
5
R
6
8
6
F
6
9
0
F
7
0
4
H
7
0
5
A
7
0
7
M
7
1
0
A
7
1
3
V
7
2
1
A
7
2
2
R
7
2
8
D
7
2
9
M
7
3
2
E
7
3
4
K
7
3
8
W
7
3
9
Q
7
5
3
S
7
5
6
T
7
6
4
R
7
8
3
Q
8
2
1
R
8
2
5
[1]2hpo.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * Zn
[1]2hpt.a . . . . . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * Zn
[1]2zxg.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * Zn
[1]3b2p.a . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * Na,Zn
[1]3b2x.a . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * Na,Zn
[1]3b34.a . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * Na,Zn
[1]3b37.a . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * Zn
[1]3b3b.a . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * Na,Zn
[1]3ked.a . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * Na,Zn
[1]3puu.a . Q . . . * . . * . * . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . Zn
[1]3qjx.a . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * Na,Zn
[1]4q4e.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4q4i.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xmt.a . . . . . A . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . Na,Zn
[1]4xmu.a . . . . . A . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * Na,Zn
[1]4xmv.a . . . . . A . . . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . Na,Zn
[1]4xmw.a . . . . . A . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . Na,Zn
[1]4xmx.a . . . . . A . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * Na,Zn
[1]4xmz.a . . . . . A . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . Na,Zn
[1]4xn1.a . . . . . A . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . Na,Zn
[1]4xn2.a . . . . . A . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xn4.a . . . . . A . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xn5.a . . . . . A . . . . * . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . Na,Zn
[1]4xn7.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . Na,Zn
[1]4xn8.a . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * Na,Zn
[1]4xn9.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4xna.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . Zn
[1]4xnb.a . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]4xnd.a . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4xo3.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4xo4.a . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4xo5.a . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5mfr.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]5mfs.a . . . . . * . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Na,Zn
[1]5mft.a . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . Na,Zn

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
2hpo.a is apo
2hpt.a:bes
2zxg.a:s23
3b2p.a:R
3b2x.a:K,mli
3b34.a:F,mli
3b37.a:Y
3b3b.a:W,mli
3ked.a:dab,mla
3puu.a is apo
3qjx.a:S,na
4q4e.a:bb2
4q4i.a:l2oVVD
4xmt.a:dpp,mli
4xmu.a:A
4xmv.a:R
4xmw.a:D,na
4xmx.a:bes,mli
4xmz.a:dab
4xn1.a:E,na
4xn2.a:L
4xn4.a:MMMM
4xn5.a:F,mli
4xn7.a:dpp
4xn8.a:A,mli
4xn9.a:bal
4xna.a:b3k,mli
4xnb.a:3fb,mli
4xnd.a:ht7,mli
4xo3.a:L,mli
4xo4.a:MMM
4xo5.a:EE
5mfr.a:7mk,mli
5mfs.a:7ml,mli
5mft.a:7mf,mli
[1] 2hpo.a
-
0.5 0.2 1.2 0.3 0.9 1.1 1.1 0.2 - 0.3 1.1 3.1 0.4 0.2 1.6 0.2 0.5 0.1 0.2 0.1 0.5 0.8 0.2 0.1 0.1 0.4 1.1 1.7 0.2 0.2 0.2 0.2 0.2 0.2
[1] 2hpt.a -
0.2
1.1 0.6 0.9 1.6 1.1 1.6 0.5 - 1.0 0.9 1.5 0.3 0.2 0.9 0.5 0.1 0.1 0.6 0.1 0.2 0.7 0.4 0 0.4 0.6 1.6 1.5 0.9 0.2 0.3 0.2 0.2 0.1
[1] 2zxg.a - 0.6
0
1.0 0.5 2.2 2.0 2.1 0.2 - 0.2 0.5 3.4 0.4 0.1 1.0 0.2 0.8 0.2 0.4 1.3 1.1 1.8 0.3 0.1 0.2 0.5 2.0 2.0 1.4 1.1 0.6 0.2 0.2 0.2
[1] 3b2p.a - 1.0 3.0
0.1
0.3 0.4 0.3 0.3 0.3 - 0.1 1.1 3.9 0.7 0.2 0.1 0.7 1.1 0.7 0.7 0 0.1 0.2 0.3 0.5 0.2 0.2 0.4 0.2 0.2 0.2 0.2 1.1 1.0 0.8
[1] 3b2x.a - 0.5 2.9 0.2
0
0.3 0.4 0.2 0.2 - 0.4 1.2 3.1 0.4 0.2 0.3 0.6 0.7 0.3 0.6 0 0.1 0.1 0.2 0.5 0.1 0.1 0.3 0.3 0.2 0.1 0.1 0.9 0.7 0.8
[1] 3b34.a - 0.9 2.5 0.1 0
0.1
0.2 0.1 0.2 - 0.1 1.0 3.1 0.3 0 0.4 0.6 1.0 0.3 0.6 0 0.1 0.1 0.2 0.3 0 0.1 0.2 0.3 0.2 0.1 0.1 0.7 0.5 0.6
[1] 3b37.a - 1.0 2.6 0.1 0.1 0.2
0.2
0.1 0.2 - 0.2 1.3 3.1 0.4 0.1 0.4 0.6 0.9 0.4 0.6 0 0.1 0.2 0.3 0.3 0.1 0.2 0.1 0.3 0.2 0.1 0.1 0.8 0.6 0.6
[1] 3b3b.a - 0.9 2.6 0.1 0.2 0.4 0.2
0.1
0.1 - 0.1 1.6 3.0 0.3 0.1 0.4 0.5 1.0 0.4 0.5 0 0.1 0.1 0.3 0.3 0.1 0.2 0.1 0.3 0.3 0.1 0.2 0.7 0.5 0.4
[1] 3ked.a - 1.6 0.7 1.4 1.3 1.9 2.3 2.0
0.1
- 0.3 0.5 3.5 0.7 0 2.7 0.5 1.4 0 0.3 1.1 1.4 2.1 0.2 0.2 0 1.2 2.2 2.4 1.1 1.0 0.8 0.2 0.2 0.1
[1] 3puu.a - 1.9 1.4 1.8 1.5 2.3 2.5 2.8 0.9
-
0.9 1.6 4.5 1.6 0.7 2.3 0.5 1.9 0.7 1.0 1.5 1.6 2.0 1.0 0.9 0.5 1.3 3.0 2.8 1.6 1.7 1.5 0.9 0.8 0.8
[1] 3qjx.a - 1.5 1.5 0.9 0.7 1.3 1.6 1.6 0.3 -
0.1
0.4 2.8 0.7 0.1 1.8 0.4 1.7 0.4 0.4 0.6 1.1 1.6 0.2 0.2 0.1 0.8 1.9 2.0 0.7 0.3 0.4 0.4 0.4 0.3
[1] 4q4e.a - 0.7 1.5 0.4 0.1 0.3 0.6 0.4 0.2 - 0.4
0
0.8 0.1 0.1 0.8 0.4 0.8 0.4 0.5 0.3 0.4 0.6 0.4 0.1 0.1 0.1 0.5 0.9 0.4 0.3 0.2 0.4 0.4 0.3
[1] 4q4i.a - 0.3 0.6 1.0 0.2 1.1 1.2 1.3 0.4 - 0.4 0.3
0.1
0.3 0.3 1.5 0.3 0.2 0.3 0.4 0.2 0.1 0.9 0.3 0.1 0.6 0.3 1.3 2.1 0.2 0.1 0.5 0.4 0.4 0.3
[1] 4xmt.a - 0.2 1.2 0.1 0 0.3 0.4 0.2 0.1 - 0.2 1.3 1.9
0.1
0 0.1 0 0.3 0 0.1 0 0.1 0 0.2 0.2 0 0.1 0.1 0.2 0.2 0.1 0 0.2 0.1 0.1
[1] 4xmu.a - 0.4 1.8 0.2 0.2 0.5 0.4 0.5 0.2 - 0.3 0.7 1.4 0.4
0
0.2 0.3 0.5 0.2 0.3 0.2 0.3 0.2 0.4 0.3 0.2 0.2 0.5 0.6 0.4 0.1 0.2 0.6 0.4 0.3
[1] 4xmv.a - 0.6 1.3 0.5 0.4 0.4 0.2 0.5 0.3 - 0.8 1.2 2.2 0.8 0.3
0.2
0.5 0.5 0.2 0.5 0.1 0.1 0.3 0.5 0.4 0.3 0.4 0.3 0.6 0.4 0.1 0.4 0.4 0.4 0.2
[1] 4xmw.a - 0.4 1.4 0.2 0.6 0.5 0.3 0.5 0.2 - 0.3 1.5 2.1 0.4 0.1 0.1
0.1
0.5 0.1 0.1 0.1 0.3 0.3 0.3 0.2 0.1 0.2 0.4 0.3 0.3 0.1 0.1 0.2 0.2 0.1
[1] 4xmx.a - 0.1 1.3 0.2 0.2 0.4 0.2 0.3 0.4 - 0.8 1.1 1.2 0.3 0.3 0.2 0.3
0.1
0.1 0.2 0 0.1 0.2 0.4 0.1 0.4 0.4 0.3 0.6 1.0 0.2 0.2 0.2 0.2 0.1
[1] 4xmz.a - 0.3 1.2 0.2 0.4 0.8 0.5 0.7 0.3 - 0.2 1.6 2.2 0.7 0 0.1 0.1 0.6
0
0.1 0.2 0.3 0.3 0.2 0.3 0.1 0.1 0.6 0.4 0.3 0.2 0 0.2 0 0.2
[1] 4xn1.a - 0.4 1.3 0.2 0.3 0.2 0.3 0.2 0.3 - 0.3 1.4 2.4 0.3 0.1 0.1 0.1 0.5 0.1
0.1
0.1 0.3 0.3 0.3 0.2 0.1 0.2 0.2 0.4 0.3 0.2 0.1 0.2 0.2 0.2
[1] 4xn2.a - 0.4 1.2 0.1 0.2 0.4 0.3 0.3 0.2 - 0.1 1.3 2.1 0.8 0.1 0.1 0.1 0.3 0.1 0.1
0
0 0.1 0.2 0.1 0.2 0.2 0.3 0.2 0.2 0.1 0.1 0.1 0.1 0.1
[1] 4xn4.a - 0.5 1.0 0.2 0.2 0.4 0.4 0.3 0.3 - 0.2 1.5 2.4 0.7 0.2 0.1 0.1 0.4 0.1 0.1 0
0
0.1 0.3 0.2 0.1 0.2 0.3 0.2 0.3 0 0.1 0.2 0.1 0.2
[1] 4xn5.a - 0.5 1.3 0.3 0.7 0.7 0.3 0.7 0.2 - 0.5 1.6 2.8 1.3 0.1 0.1 0.2 0.5 0.1 0.2 0.2 0.1
0.1
0.3 0.2 0.1 0.3 0.8 0.3 0.3 0.1 0.3 0.3 0.4 0.3
[1] 4xn7.a - 0.8 0.7 1.1 0.7 1.1 1.3 1.2 0.1 - 0.3 0.9 2.7 0.3 0 1.6 0.3 0.9 0.2 0.7 0.4 1.2 1.0
0.3
0 0.1 0.7 1.4 1.6 0.5 0.3 0.7 0.3 0.1 0.2
[1] 4xn8.a - 1.3 1.6 1.0 0.5 1.0 1.4 1.4 0.4 - 0.1 1.0 2.4 0.7 0.2 1.9 0.4 1.2 0.2 0.4 0.5 0.9 1.3 0.2
0.2
0.1 0.7 1.7 1.6 0.7 0.3 0.3 0.3 0.3 0.2
[1] 4xn9.a - 1.3 0.6 1.7 1.2 2.0 2.0 2.0 0.2 - 0.5 0.2 1.2 0.2 0.1 1.8 0.8 1.5 0.4 1.0 1.3 1.7 1.7 0.2 0.2
0.1
1.2 2.3 2.4 1.4 1.1 1.0 0.5 0.5 0.5
[1] 4xna.a - 0.7 2.2 0.1 0.2 0.4 0.3 0.4 0.2 - 0.3 1.5 2.4 0.5 0.2 0.1 0.6 0.8 0.3 0.6 0.1 0.2 0.3 0.3 0.5 0.1
0
0.4 0.4 0.2 0.2 0.1 0.8 0.8 0.7
[1] 4xnb.a - 0.9 2.8 0 0 0.1 0.1 0 0 - 0.1 1.6 3.1 0.5 0.1 0.1 0.7 0.8 0.6 0.7 0 0.1 0 0.2 0.5 0 0.1
0
0.2 0.2 0.1 0.1 1.0 1.0 0.9
[1] 4xnd.a - 0.6 2.6 0.1 0.2 0.4 0.1 0.1 0.1 - 0.1 1.4 3.2 0.7 0.1 0.1 0.4 0.8 0.3 0.4 0.1 0.1 0.1 0.2 0.3 0 0.1 0.1
0.1
0.2 0.1 0.1 0.6 0.6 0.4
[1] 4xo3.a - 0.8 2.1 0.1 0.1 0.3 0.2 0.3 0.2 - 0.2 0.1 1.8 0.5 0.1 0.5 0.6 0.8 0.4 0.4 0 0.1 0.1 0.2 0.1 0.3 0.3 0.4 0.5
0.1
0.2 0.2 0.6 0.7 0.6
[1] 4xo4.a - 0.6 1.5 0.9 0.4 0.7 0.5 0.8 0.2 - 0.3 1.5 1.6 0.5 0.2 1.3 0.2 0.7 0.1 0.3 0 0.2 0.5 0.1 0.1 0.2 0.4 1.0 1.2 0.3
0
0.2 0 0.1 0
[1] 4xo5.a - 0.9 2.2 0.1 0.1 0.2 0.3 0.3 0.2 - 0.2 0.4 1.5 0.4 0.1 0.4 0.4 0.7 0.2 0.4 0 0.2 0.2 0.3 0.2 0.1 0.2 0.2 0.3 0.3 0.1
0.1
0.4 0.3 0.3
[1] 5mfr.a - 0.5 0.3 1.0 0.4 0.8 1.2 1.2 0.2 - 0.3 0 0.6 0.3 0.1 1.6 0.4 0.4 0.1 0.4 0.2 0.5 1.1 0.2 0 0.2 0.5 1.3 1.9 0.3 0.2 0.1
0.2
0 0.1
[1] 5mfs.a - 0.4 0.9 1.0 0.3 0.8 1.3 1.2 0.2 - 0.2 0.1 0.5 0.2 0.1 1.6 0.4 0.4 0.1 0.4 0.2 0.5 0.9 0.2 0 0.2 0.4 1.3 1.8 0.3 0.2 0.1 0.1
0
0.1
[1] 5mft.a - 0.4 0.2 0.7 0.2 0.9 1.2 1.1 0.2 - 0.1 0.3 1.8 0.3 0.1 1.2 0.1 0.3 0.1 0.1 0.1 0.6 0.9 0.3 0 0.2 0.2 1.5 1.7 0.2 0.2 0.1 0.2 0
0.1
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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
2hpo.a
2hpt.a
2zxg.a
3b2p.a
3b2x.a
3b34.a
3b37.a
3b3b.a
3ked.a
3puu.a
3qjx.a
4q4e.a
4q4i.a
4xmt.a
4xmu.a
4xmv.a
4xmw.a
4xmx.a
4xmz.a
4xn1.a
4xn2.a
4xn4.a
4xn5.a
4xn7.a
4xn8.a
4xn9.a
4xna.a
4xnb.a
4xnd.a
4xo3.a
4xo4.a
4xo5.a
5mfr.a
5mfs.a
5mft.a
[1] 2hpo.a
0
.07 .05 .04 .03 .03 .02 .02 .05 .06 .05 .06 .07 .06 .07 .07 .05 .09 .06 .05 .07 .06 .07 .03 .05 .07 .04 .04 .04 .06 .04 .05 .04 .06 .03
[1] 2hpt.a .07
0
.08 .06 .05 .07 .06 .06 .08 .10 .06 .08 .07 .06 .06 .06 .07 .03 .08 .08 .06 .07 .07 .08 .07 .08 .07 .08 .06 .08 .06 .05 .07 .06 .08
[1] 2zxg.a .05 .08
0
.05 .05 .05 .05 .05 .07 .10 .05 .06 .07 .09 .07 .09 .09 .10 .10 .09 .09 .09 .11 .07 .06 .06 .07 .06 .06 .05 .07 .06 .04 .06 .07
[1] 3b2p.a .04 .06 .05
0
.02 .02 .02 .02 .02 .07 .03 .08 .08 .06 .06 .06 .06 .08 .06 .07 .05 .05 .07 .06 .03 .05 .05 .02 .03 .05 .05 .05 .06 .05 .06
[1] 3b2x.a .03 .05 .05 .02
0
.02 .01 .02 .03 .07 .03 .07 .07 .05 .05 .05 .05 .06 .06 .05 .05 .04 .06 .05 .03 .05 .04 .03 .02 .05 .03 .04 .04 .03 .04
[1] 3b34.a .03 .07 .05 .02 .02
0
.01 .02 .03 .05 .02 .06 .08 .05 .06 .05 .05 .08 .05 .05 .05 .04 .06 .05 .02 .06 .04 .01 .01 .05 .03 .04 .05 .04 .05
[1] 3b37.a .02 .06 .05 .02 .01 .01
0
.01 .03 .06 .03 .07 .07 .04 .05 .05 .04 .07 .05 .04 .05 .04 .06 .04 .02 .05 .03 .02 .02 .05 .03 .03 .04 .04 .04
[1] 3b3b.a .02 .06 .05 .02 .02 .02 .01
0
.03 .06 .03 .07 .08 .05 .06 .06 .04 .08 .05 .05 .06 .05 .07 .05 .03 .06 .04 .02 .03 .06 .03 .04 .05 .05 .04
[1] 3ked.a .05 .08 .07 .02 .03 .03 .03 .03
0
.07 .04 .09 .09 .06 .08 .07 .07 .09 .07 .07 .06 .05 .07 .06 .03 .06 .06 .03 .03 .06 .05 .05 .07 .06 .07
[1] 3puu.a .06 .10 .10 .07 .07 .05 .06 .06 .07
0
.07 .10 .11 .08 .09 .08 .07 .11 .07 .07 .07 .07 .07 .07 .06 .10 .07 .05 .06 .09 .06 .07 .09 .08 .07
[1] 3qjx.a .05 .06 .05 .03 .03 .02 .03 .03 .04 .07
0
.05 .06 .06 .05 .06 .06 .07 .06 .06 .06 .05 .07 .06 .01 .04 .06 .03 .03 .04 .05 .03 .04 .03 .06
[1] 4q4e.a .06 .08 .06 .08 .07 .06 .07 .07 .09 .10 .05
0
.03 .07 .06 .08 .07 .09 .08 .08 .08 .08 .09 .05 .06 .05 .05 .07 .07 .04 .05 .04 .03 .03 .04
[1] 4q4i.a .07 .07 .07 .08 .07 .08 .07 .08 .09 .11 .06 .03
0
.08 .07 .08 .08 .08 .09 .09 .08 .08 .10 .06 .07 .05 .05 .08 .07 .03 .06 .05 .03 .04 .05
[1] 4xmt.a .06 .06 .09 .06 .05 .05 .04 .05 .06 .08 .06 .07 .08
0
.03 .03 .01 .05 .02 .02 .02 .02 .03 .05 .05 .07 .05 .05 .06 .07 .03 .04 .06 .05 .05
[1] 4xmu.a .07 .06 .07 .06 .05 .06 .05 .06 .08 .09 .05 .06 .07 .03
0
.04 .04 .04 .04 .04 .04 .03 .05 .08 .06 .07 .07 .07 .06 .07 .05 .04 .05 .05 .07
[1] 4xmv.a .07 .06 .09 .06 .05 .05 .05 .06 .07 .08 .06 .08 .08 .03 .04
0
.03 .04 .03 .03 .02 .02 .03 .07 .05 .08 .06 .06 .05 .07 .04 .05 .07 .06 .06
[1] 4xmw.a .05 .07 .09 .06 .05 .05 .04 .04 .07 .07 .06 .07 .08 .01 .04 .03
0
.06 .01 0 .03 .02 .03 .05 .05 .07 .04 .05 .06 .08 .03 .04 .06 .06 .04
[1] 4xmx.a .09 .03 .10 .08 .06 .08 .07 .08 .09 .11 .07 .09 .08 .05 .04 .04 .06
0
.06 .06 .05 .05 .05 .09 .08 .09 .08 .08 .07 .09 .06 .06 .08 .07 .09
[1] 4xmz.a .06 .08 .10 .06 .06 .05 .05 .05 .07 .07 .06 .08 .09 .02 .04 .03 .01 .06
0
.01 .03 .02 .02 .05 .05 .08 .05 .05 .06 .07 .04 .04 .07 .06 .04
[1] 4xn1.a .05 .08 .09 .07 .05 .05 .04 .05 .07 .07 .06 .08 .09 .02 .04 .03 0 .06 .01
0
.03 .03 .03 .05 .05 .08 .04 .05 .06 .08 .03 .04 .07 .06 .04
[1] 4xn2.a .07 .06 .09 .05 .05 .05 .05 .06 .06 .07 .06 .08 .08 .02 .04 .02 .03 .05 .03 .03
0
.01 .02 .07 .05 .08 .06 .05 .05 .06 .03 .05 .07 .06 .06
[1] 4xn4.a .06 .07 .09 .05 .04 .04 .04 .05 .05 .07 .05 .08 .08 .02 .03 .02 .02 .05 .02 .03 .01
0
.02 .07 .05 .08 .06 .04 .04 .07 .04 .04 .07 .06 .06
[1] 4xn5.a .07 .07 .11 .07 .06 .06 .06 .07 .07 .07 .07 .09 .10 .03 .05 .03 .03 .05 .02 .03 .02 .02
0
.06 .06 .09 .06 .06 .06 .08 .04 .06 .08 .07 .06
[1] 4xn7.a .03 .08 .07 .06 .05 .05 .04 .05 .06 .07 .06 .05 .06 .05 .08 .07 .05 .09 .05 .05 .07 .07 .06
0
.05 .06 .03 .05 .06 .05 .04 .05 .04 .05 .03
[1] 4xn8.a .05 .07 .06 .03 .03 .02 .02 .03 .03 .06 .01 .06 .07 .05 .06 .05 .05 .08 .05 .05 .05 .05 .06 .05
0
.04 .05 .02 .02 .04 .04 .03 .04 .04 .05
[1] 4xn9.a .07 .08 .06 .05 .05 .06 .05 .06 .06 .10 .04 .05 .05 .07 .07 .08 .07 .09 .08 .08 .08 .08 .09 .06 .04
0
.04 .05 .05 .04 .06 .04 .03 .03 .05
[1] 4xna.a .04 .07 .07 .05 .04 .04 .03 .04 .06 .07 .06 .05 .05 .05 .07 .06 .04 .08 .05 .04 .06 .06 .06 .03 .05 .04
0
.04 .05 .05 .03 .03 .04 .04 .03
[1] 4xnb.a .04 .08 .06 .02 .03 .01 .02 .02 .03 .05 .03 .07 .08 .05 .07 .06 .05 .08 .05 .05 .05 .04 .06 .05 .02 .05 .04
0
.02 .05 .03 .04 .05 .05 .05
[1] 4xnd.a .04 .06 .06 .03 .02 .01 .02 .03 .03 .06 .03 .07 .07 .06 .06 .05 .06 .07 .06 .06 .05 .04 .06 .06 .02 .05 .05 .02
0
.05 .04 .04 .05 .04 .06
[1] 4xo3.a .06 .08 .05 .05 .05 .05 .05 .06 .06 .09 .04 .04 .03 .07 .07 .07 .08 .09 .07 .08 .06 .07 .08 .05 .04 .04 .05 .05 .05
0
.05 .04 .02 .03 .05
[1] 4xo4.a .04 .06 .07 .05 .03 .03 .03 .03 .05 .06 .05 .05 .06 .03 .05 .04 .03 .06 .04 .03 .03 .04 .04 .04 .04 .06 .03 .03 .04 .05
0
.02 .05 .04 .04
[1] 4xo5.a .05 .05 .06 .05 .04 .04 .03 .04 .05 .07 .03 .04 .05 .04 .04 .05 .04 .06 .04 .04 .05 .04 .06 .05 .03 .04 .03 .04 .04 .04 .02
0
.03 .02 .04
[1] 5mfr.a .04 .07 .04 .06 .04 .05 .04 .05 .07 .09 .04 .03 .03 .06 .05 .07 .06 .08 .07 .07 .07 .07 .08 .04 .04 .03 .04 .05 .05 .02 .05 .03
0
.01 .03
[1] 5mfs.a .06 .06 .06 .05 .03 .04 .04 .05 .06 .08 .03 .03 .04 .05 .05 .06 .06 .07 .06 .06 .06 .06 .07 .05 .04 .03 .04 .05 .04 .03 .04 .02 .01
0
.04
[1] 5mft.a .03 .08 .07 .06 .04 .05 .04 .04 .07 .07 .06 .04 .05 .05 .07 .06 .04 .09 .04 .04 .06 .06 .06 .03 .05 .05 .03 .05 .06 .05 .04 .04 .03 .04
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 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
2hpo.a
2hpt.a
2zxg.a
3b2p.a
3b2x.a
3b34.a
3b37.a
3b3b.a
3ked.a
3puu.a
3qjx.a
4q4e.a
4q4i.a
4xmt.a
4xmu.a
4xmv.a
4xmw.a
4xmx.a
4xmz.a
4xn1.a
4xn2.a
4xn4.a
4xn5.a
4xn7.a
4xn8.a
4xn9.a
4xna.a
4xnb.a
4xnd.a
4xo3.a
4xo4.a
4xo5.a
5mfr.a
5mfs.a
5mft.a
[1] 2hpo.a
0
0.2 0.2 0.2 0.2 0.1 0.1 0.1 0.3 0.2 0.3 0.2 0.3 0.1 0.2 0.3 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.2 0.3 0.3 0.2 0.2 0.2 0.1 0.2 0.1 0.2 0.2 0.2
[1] 2hpt.a 0.2
0
0.3 0.2 0.2 0.2 0.2 0.2 0.4 0.2 0.4 0.2 0.3 0.1 0.2 0.2 0.3 0.1 0.3 0.3 0.2 0.2 0.2 0.2 0.4 0.3 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.3
[1] 2zxg.a 0.2 0.3
0
0.3 0.3 0.3 0.3 0.3 0.4 0.2 0.4 0.2 0.4 0.2 0.3 0.4 0.2 0.3 0.2 0.2 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.2 0.2 0.2
[1] 3b2p.a 0.2 0.2 0.3
0
0.2 0.2 0.1 0.2 0.3 0.3 0.4 0.3 0.3 0.2 0.3 0.3 0.3 0.3 0.3 0.3 0.2 0.2 0.2 0.2 0.4 0.3 0.2 0.1 0.2 0.2 0.2 0.2 0.3 0.3 0.3
[1] 3b2x.a 0.2 0.2 0.3 0.2
0
0.1 0.1 0.1 0.4 0.2 0.4 0.2 0.3 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.4 0.3 0.2 0.2 0.2 0.2 0.2 0.2 0.3 0.3 0.3
[1] 3b34.a 0.1 0.2 0.3 0.2 0.1
0
0.1 0.1 0.3 0.2 0.4 0.2 0.3 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.3 0.3 0.2 0.1 0.1 0.1 0.2 0.1 0.2 0.2 0.3
[1] 3b37.a 0.1 0.2 0.3 0.1 0.1 0.1
0
0.1 0.3 0.3 0.4 0.2 0.3 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.3 0.3 0.2 0.1 0.1 0.1 0.2 0.1 0.2 0.2 0.3
[1] 3b3b.a 0.1 0.2 0.3 0.2 0.1 0.1 0.1
0
0.3 0.2 0.4 0.2 0.3 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.4 0.3 0.2 0.1 0.1 0.1 0.2 0.1 0.2 0.2 0.3
[1] 3ked.a 0.3 0.4 0.4 0.3 0.4 0.3 0.3 0.3
0
0.4 0.2 0.3 0.4 0.3 0.3 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.3 0.3 0.2 0.3 0.4 0.3 0.3 0.4 0.4 0.3 0.4 0.4 0.4
[1] 3puu.a 0.2 0.2 0.2 0.3 0.2 0.2 0.3 0.2 0.4
0
0.4 0.3 0.4 0.2 0.3 0.3 0.3 0.3 0.2 0.3 0.3 0.3 0.3 0.3 0.4 0.3 0.3 0.3 0.3 0.2 0.3 0.2 0.2 0.2 0.3
[1] 3qjx.a 0.3 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.2 0.4
0
0.3 0.5 0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.1 0.3 0.4 0.4 0.4 0.4 0.4 0.3 0.4 0.4 0.4
[1] 4q4e.a 0.2 0.2 0.2 0.3 0.2 0.2 0.2 0.2 0.3 0.3 0.3
0
0.3 0.2 0.3 0.3 0.2 0.3 0.2 0.2 0.2 0.2 0.3 0.2 0.3 0.3 0.2 0.2 0.2 0.2 0.3 0.2 0.2 0.2 0.2
[1] 4q4i.a 0.3 0.3 0.4 0.3 0.3 0.3 0.3 0.3 0.4 0.4 0.5 0.3
0
0.3 0.4 0.4 0.4 0.3 0.4 0.4 0.3 0.3 0.3 0.3 0.5 0.4 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.3 0.4
[1] 4xmt.a 0.1 0.1 0.2 0.2 0.1 0.1 0.1 0.1 0.3 0.2 0.4 0.2 0.3
0
0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.4 0.3 0.2 0.1 0.1 0.1 0.2 0.1 0.2 0.2 0.2
[1] 4xmu.a 0.2 0.2 0.3 0.3 0.2 0.2 0.2 0.2 0.3 0.3 0.4 0.3 0.4 0.2
0
0.2 0.3 0.3 0.3 0.3 0.2 0.2 0.3 0.2 0.4 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.3 0.3 0.3
[1] 4xmv.a 0.3 0.2 0.4 0.3 0.2 0.2 0.2 0.2 0.4 0.3 0.5 0.3 0.4 0.2 0.2
0
0.3 0.2 0.3 0.3 0.2 0.2 0.2 0.2 0.4 0.3 0.3 0.3 0.2 0.3 0.2 0.3 0.3 0.3 0.4
[1] 4xmw.a 0.2 0.3 0.2 0.3 0.2 0.2 0.2 0.2 0.4 0.3 0.4 0.2 0.4 0.2 0.3 0.3
0
0.3 0.1 0 0.3 0.2 0.3 0.3 0.4 0.3 0.2 0.2 0.3 0.2 0.3 0.2 0.2 0.2 0.2
[1] 4xmx.a 0.3 0.1 0.3 0.3 0.2 0.2 0.2 0.2 0.4 0.3 0.4 0.3 0.3 0.2 0.3 0.2 0.3
0
0.3 0.3 0.2 0.2 0.2 0.2 0.4 0.3 0.3 0.3 0.2 0.3 0.2 0.2 0.3 0.3 0.3
[1] 4xmz.a 0.2 0.3 0.2 0.3 0.2 0.2 0.2 0.2 0.4 0.2 0.4 0.2 0.4 0.2 0.3 0.3 0.1 0.3
0
0.1 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.2 0.2 0.2 0.2
[1] 4xn1.a 0.2 0.3 0.2 0.3 0.2 0.2 0.2 0.2 0.4 0.3 0.4 0.2 0.4 0.2 0.3 0.3 0 0.3 0.1
0
0.3 0.2 0.3 0.3 0.4 0.3 0.2 0.2 0.2 0.2 0.3 0.2 0.2 0.2 0.2
[1] 4xn2.a 0.2 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.4 0.3 0.4 0.2 0.3 0.2 0.2 0.2 0.3 0.2 0.3 0.3
0
0.1 0.2 0.2 0.4 0.3 0.2 0.2 0.2 0.1 0.2 0.2 0.3 0.3 0.3
[1] 4xn4.a 0.2 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.4 0.3 0.4 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.3 0.2 0.1
0
0.2 0.2 0.4 0.3 0.2 0.2 0.2 0.1 0.2 0.2 0.3 0.2 0.3
[1] 4xn5.a 0.2 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.3 0.3 0.4 0.3 0.3 0.2 0.3 0.2 0.3 0.2 0.3 0.3 0.2 0.2
0
0.2 0.4 0.3 0.2 0.2 0.1 0.2 0.2 0.2 0.3 0.3 0.3
[1] 4xn7.a 0.2 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.3 0.3 0.4 0.2 0.3 0.2 0.2 0.2 0.3 0.2 0.3 0.3 0.2 0.2 0.2
0
0.4 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.3 0.3 0.3
[1] 4xn8.a 0.3 0.4 0.3 0.4 0.4 0.3 0.3 0.4 0.2 0.4 0.1 0.3 0.5 0.4 0.4 0.4 0.4 0.4 0.3 0.4 0.4 0.4 0.4 0.4
0
0.4 0.4 0.4 0.4 0.3 0.4 0.3 0.3 0.3 0.4
[1] 4xn9.a 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.3 0.2 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.2 0.4
0
0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.4
[1] 4xna.a 0.2 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.4 0.3 0.4 0.2 0.3 0.2 0.3 0.3 0.2 0.3 0.3 0.2 0.2 0.2 0.2 0.3 0.4 0.3
0
0.2 0.2 0.2 0.3 0.2 0.3 0.3 0.3
[1] 4xnb.a 0.2 0.2 0.3 0.1 0.2 0.1 0.1 0.1 0.3 0.3 0.4 0.2 0.3 0.1 0.2 0.3 0.2 0.3 0.3 0.2 0.2 0.2 0.2 0.2 0.4 0.3 0.2
0
0.1 0.2 0.2 0.1 0.3 0.3 0.3
[1] 4xnd.a 0.2 0.2 0.3 0.2 0.2 0.1 0.1 0.1 0.3 0.3 0.4 0.2 0.3 0.1 0.2 0.2 0.3 0.2 0.3 0.2 0.2 0.2 0.1 0.2 0.4 0.3 0.2 0.1
0
0.2 0.2 0.2 0.3 0.2 0.3
[1] 4xo3.a 0.1 0.2 0.3 0.2 0.2 0.1 0.1 0.1 0.4 0.2 0.4 0.2 0.3 0.1 0.2 0.3 0.2 0.3 0.3 0.2 0.1 0.1 0.2 0.2 0.3 0.3 0.2 0.2 0.2
0
0.2 0.1 0.3 0.2 0.3
[1] 4xo4.a 0.2 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.4 0.3 0.4 0.3 0.3 0.2 0.2 0.2 0.3 0.2 0.3 0.3 0.2 0.2 0.2 0.2 0.4 0.3 0.3 0.2 0.2 0.2
0
0.2 0.3 0.3 0.3
[1] 4xo5.a 0.1 0.2 0.3 0.2 0.2 0.1 0.1 0.1 0.3 0.2 0.3 0.2 0.3 0.1 0.2 0.3 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.3 0.3 0.2 0.1 0.2 0.1 0.2
0
0.2 0.2 0.3
[1] 5mfr.a 0.2 0.2 0.2 0.3 0.3 0.2 0.2 0.2 0.4 0.2 0.4 0.2 0.4 0.2 0.3 0.3 0.2 0.3 0.2 0.2 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.2
0
0.1 0.1
[1] 5mfs.a 0.2 0.2 0.2 0.3 0.3 0.2 0.2 0.2 0.4 0.2 0.4 0.2 0.3 0.2 0.3 0.3 0.2 0.3 0.2 0.2 0.3 0.2 0.3 0.3 0.3 0.3 0.3 0.3 0.2 0.2 0.3 0.2 0.1
0
0.1
[1] 5mft.a 0.2 0.3 0.2 0.3 0.3 0.3 0.3 0.3 0.4 0.3 0.4 0.2 0.4 0.2 0.3 0.4 0.2 0.3 0.2 0.2 0.3 0.3 0.3 0.3 0.4 0.4 0.3 0.3 0.3 0.3 0.3 0.3 0.1 0.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 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
2hpo.a
2hpt.a
2zxg.a
3b2p.a
3b2x.a
3b34.a
3b37.a
3b3b.a
3ked.a
3puu.a
3qjx.a
4q4e.a
4q4i.a
4xmt.a
4xmu.a
4xmv.a
4xmw.a
4xmx.a
4xmz.a
4xn1.a
4xn2.a
4xn4.a
4xn5.a
4xn7.a
4xn8.a
4xn9.a
4xna.a
4xnb.a
4xnd.a
4xo3.a
4xo4.a
4xo5.a
5mfr.a
5mfs.a
5mft.a
[1] 2hpo.a
0
0.9 0.5 0.8 0.8 0.8 0.8 0.8 0.8 0.6 0.9 0.8 0.9 0.8 0.9 0.9 0.6 0.9 0.6 0.6 0.8 0.8 0.8 0.7 0.7 0.9 0.9 0.8 0.9 0.9 0.9 0.9 0.6 0.7 0.5
[1] 2hpt.a 0.9
0
1.0 0.7 0.7 0.7 0.7 0.6 0.7 0.8 0.7 0.8 0.8 0.5 0.6 0.6 0.8 0.5 0.8 0.8 0.6 0.6 0.6 0.7 1.0 0.8 0.8 0.7 0.8 1.0 0.7 0.9 0.9 0.8 1.0
[1] 2zxg.a 0.5 1.0
0
0.9 0.9 0.9 0.9 0.9 0.9 0.7 1.0 1.0 1.1 0.9 1.0 1.0 0.7 1.1 0.7 0.7 1.0 0.9 0.9 0.8 0.8 1.1 1.1 0.9 1.0 0.9 1.0 1.0 0.8 0.9 0.6
[1] 3b2p.a 0.8 0.7 0.9
0
0.3 0.3 0.3 0.2 0.5 0.8 0.6 0.8 0.9 0.4 0.6 0.5 0.7 0.7 0.7 0.7 0.5 0.4 0.5 0.6 0.8 0.7 0.6 0.3 0.5 0.8 0.5 0.6 1.0 0.9 0.9
[1] 3b2x.a 0.8 0.7 0.9 0.3
0
0.2 0.2 0.2 0.6 0.8 0.6 0.8 0.9 0.3 0.6 0.5 0.7 0.6 0.7 0.7 0.4 0.4 0.5 0.6 0.9 0.8 0.6 0.3 0.5 0.8 0.5 0.6 1.0 0.9 0.9
[1] 3b34.a 0.8 0.7 0.9 0.3 0.2
0
0.2 0.3 0.5 0.8 0.6 0.8 0.9 0.3 0.5 0.5 0.7 0.6 0.7 0.6 0.4 0.4 0.4 0.6 0.8 0.7 0.6 0.3 0.5 0.8 0.5 0.6 1.0 0.8 0.9
[1] 3b37.a 0.8 0.7 0.9 0.3 0.2 0.2
0
0.2 0.5 0.8 0.6 0.8 0.9 0.3 0.6 0.5 0.7 0.6 0.7 0.6 0.4 0.4 0.4 0.6 0.8 0.7 0.6 0.3 0.5 0.8 0.5 0.6 1.0 0.8 0.9
[1] 3b3b.a 0.8 0.6 0.9 0.2 0.2 0.3 0.2
0
0.5 0.7 0.6 0.8 0.9 0.3 0.6 0.5 0.7 0.6 0.7 0.6 0.5 0.4 0.5 0.6 0.8 0.7 0.5 0.4 0.5 0.8 0.5 0.6 1.0 0.8 0.9
[1] 3ked.a 0.8 0.7 0.9 0.5 0.6 0.5 0.5 0.5
0
0.8 0.5 0.8 0.9 0.5 0.6 0.6 0.8 0.7 0.7 0.8 0.6 0.6 0.6 0.6 0.8 0.7 0.7 0.6 0.6 0.9 0.6 0.7 1.0 0.9 0.9
[1] 3puu.a 0.6 0.8 0.7 0.8 0.8 0.8 0.8 0.7 0.8
0
0.8 1.0 1.1 0.8 0.8 0.8 0.5 0.9 0.5 0.5 0.8 0.8 0.8 0.8 0.7 0.9 0.9 0.8 0.8 1.1 0.8 0.9 0.8 0.7 0.8
[1] 3qjx.a 0.9 0.7 1.0 0.6 0.6 0.6 0.6 0.6 0.5 0.8
0
0.7 0.7 0.6 0.6 0.7 0.8 0.7 0.8 0.8 0.6 0.6 0.6 0.7 0.8 0.5 0.6 0.6 0.7 0.8 0.7 0.7 0.8 0.7 0.9
[1] 4q4e.a 0.8 0.8 1.0 0.8 0.8 0.8 0.8 0.8 0.8 1.0 0.7
0
0.6 0.8 0.8 0.9 1.0 0.8 0.9 0.9 0.8 0.8 0.8 0.6 1.0 0.7 0.7 0.8 0.9 0.8 0.9 0.8 0.7 0.8 0.8
[1] 4q4i.a 0.9 0.8 1.1 0.9 0.9 0.9 0.9 0.9 0.9 1.1 0.7 0.6
0
0.8 0.8 0.9 1.0 0.8 1.0 1.0 0.8 0.9 0.8 0.6 1.1 0.7 0.7 0.9 1.0 0.8 0.9 0.9 0.8 0.8 0.9
[1] 4xmt.a 0.8 0.5 0.9 0.4 0.3 0.3 0.3 0.3 0.5 0.8 0.6 0.8 0.8
0
0.5 0.5 0.7 0.6 0.7 0.6 0.4 0.4 0.4 0.6 0.8 0.7 0.5 0.3 0.5 0.8 0.4 0.6 0.9 0.8 0.9
[1] 4xmu.a 0.9 0.6 1.0 0.6 0.6 0.5 0.6 0.6 0.6 0.8 0.6 0.8 0.8 0.5
0
0.5 0.8 0.6 0.8 0.8 0.5 0.6 0.5 0.7 0.9 0.6 0.6 0.5 0.6 0.8 0.5 0.7 0.9 0.8 1.0
[1] 4xmv.a 0.9 0.6 1.0 0.5 0.5 0.5 0.5 0.5 0.6 0.8 0.7 0.9 0.9 0.5 0.5
0
0.8 0.6 0.7 0.8 0.5 0.5 0.4 0.6 0.9 0.7 0.7 0.5 0.6 0.9 0.4 0.8 1.0 0.9 1.0
[1] 4xmw.a 0.6 0.8 0.7 0.7 0.7 0.7 0.7 0.7 0.8 0.5 0.8 1.0 1.0 0.7 0.8 0.8
0
0.8 0.3 0.3 0.8 0.7 0.7 0.8 0.6 0.9 0.8 0.7 0.8 1.0 0.8 0.8 0.7 0.6 0.7
[1] 4xmx.a 0.9 0.5 1.1 0.7 0.6 0.6 0.6 0.6 0.7 0.9 0.7 0.8 0.8 0.6 0.6 0.6 0.8
0
0.8 0.8 0.6 0.6 0.6 0.7 1.0 0.7 0.6 0.6 0.7 0.9 0.6 0.8 1.0 0.8 1.0
[1] 4xmz.a 0.6 0.8 0.7 0.7 0.7 0.7 0.7 0.7 0.7 0.5 0.8 0.9 1.0 0.7 0.8 0.7 0.3 0.8
0
0.3 0.7 0.7 0.7 0.8 0.6 0.9 0.8 0.7 0.7 0.9 0.7 0.8 0.7 0.6 0.7
[1] 4xn1.a 0.6 0.8 0.7 0.7 0.7 0.6 0.6 0.6 0.8 0.5 0.8 0.9 1.0 0.6 0.8 0.8 0.3 0.8 0.3
0
0.7 0.7 0.7 0.8 0.6 0.8 0.7 0.7 0.8 1.0 0.7 0.8 0.7 0.5 0.7
[1] 4xn2.a 0.8 0.6 1.0 0.5 0.4 0.4 0.4 0.5 0.6 0.8 0.6 0.8 0.8 0.4 0.5 0.5 0.8 0.6 0.7 0.7
0
0.4 0.4 0.6 0.9 0.7 0.6 0.4 0.5 0.8 0.4 0.6 0.9 0.8 0.9
[1] 4xn4.a 0.8 0.6 0.9 0.4 0.4 0.4 0.4 0.4 0.6 0.8 0.6 0.8 0.9 0.4 0.6 0.5 0.7 0.6 0.7 0.7 0.4
0
0.4 0.6 0.8 0.7 0.6 0.4 0.5 0.8 0.4 0.7 1.0 0.8 0.9
[1] 4xn5.a 0.8 0.6 0.9 0.5 0.5 0.4 0.4 0.5 0.6 0.8 0.6 0.8 0.8 0.4 0.5 0.4 0.7 0.6 0.7 0.7 0.4 0.4
0
0.6 0.9 0.7 0.6 0.4 0.5 0.8 0.4 0.6 1.0 0.8 0.9
[1] 4xn7.a 0.7 0.7 0.8 0.6 0.6 0.6 0.6 0.6 0.6 0.8 0.7 0.6 0.6 0.6 0.7 0.6 0.8 0.7 0.8 0.8 0.6 0.6 0.6
0
0.9 0.7 0.7 0.6 0.7 0.7 0.6 0.8 0.8 0.9 0.8
[1] 4xn8.a 0.7 1.0 0.8 0.8 0.9 0.8 0.8 0.8 0.8 0.7 0.8 1.0 1.1 0.8 0.9 0.9 0.6 1.0 0.6 0.6 0.9 0.8 0.9 0.9
0
0.9 0.8 0.8 0.9 0.8 0.9 0.7 0.8 0.7 0.7
[1] 4xn9.a 0.9 0.8 1.1 0.7 0.8 0.7 0.7 0.7 0.7 0.9 0.5 0.7 0.7 0.7 0.6 0.7 0.9 0.7 0.9 0.8 0.7 0.7 0.7 0.7 0.9
0
0.6 0.7 0.8 0.9 0.7 0.7 0.9 0.8 0.9
[1] 4xna.a 0.9 0.8 1.1 0.6 0.6 0.6 0.6 0.5 0.7 0.9 0.6 0.7 0.7 0.5 0.6 0.7 0.8 0.6 0.8 0.7 0.6 0.6 0.6 0.7 0.8 0.6
0
0.6 0.6 0.8 0.7 0.5 0.9 0.8 0.9
[1] 4xnb.a 0.8 0.7 0.9 0.3 0.3 0.3 0.3 0.4 0.6 0.8 0.6 0.8 0.9 0.3 0.5 0.5 0.7 0.6 0.7 0.7 0.4 0.4 0.4 0.6 0.8 0.7 0.6
0
0.4 0.8 0.5 0.6 0.9 0.8 0.9
[1] 4xnd.a 0.9 0.8 1.0 0.5 0.5 0.5 0.5 0.5 0.6 0.8 0.7 0.9 1.0 0.5 0.6 0.6 0.8 0.7 0.7 0.8 0.5 0.5 0.5 0.7 0.9 0.8 0.6 0.4
0
0.8 0.5 0.7 1.0 0.9 1.0
[1] 4xo3.a 0.9 1.0 0.9 0.8 0.8 0.8 0.8 0.8 0.9 1.1 0.8 0.8 0.8 0.8 0.8 0.9 1.0 0.9 0.9 1.0 0.8 0.8 0.8 0.7 0.8 0.9 0.8 0.8 0.8
0
0.9 0.6 0.9 1.0 0.8
[1] 4xo4.a 0.9 0.7 1.0 0.5 0.5 0.5 0.5 0.5 0.6 0.8 0.7 0.9 0.9 0.4 0.5 0.4 0.8 0.6 0.7 0.7 0.4 0.4 0.4 0.6 0.9 0.7 0.7 0.5 0.5 0.9
0
0.7 1.0 0.9 1.0
[1] 4xo5.a 0.9 0.9 1.0 0.6 0.6 0.6 0.6 0.6 0.7 0.9 0.7 0.8 0.9 0.6 0.7 0.8 0.8 0.8 0.8 0.8 0.6 0.7 0.6 0.8 0.7 0.7 0.5 0.6 0.7 0.6 0.7
0
1.0 0.9 0.9
[1] 5mfr.a 0.6 0.9 0.8 1.0 1.0 1.0 1.0 1.0 1.0 0.8 0.8 0.7 0.8 0.9 0.9 1.0 0.7 1.0 0.7 0.7 0.9 1.0 1.0 0.8 0.8 0.9 0.9 0.9 1.0 0.9 1.0 1.0
0
0.5 0.5
[1] 5mfs.a 0.7 0.8 0.9 0.9 0.9 0.8 0.8 0.8 0.9 0.7 0.7 0.8 0.8 0.8 0.8 0.9 0.6 0.8 0.6 0.5 0.8 0.8 0.8 0.9 0.7 0.8 0.8 0.8 0.9 1.0 0.9 0.9 0.5
0
0.6
[1] 5mft.a 0.5 1.0 0.6 0.9 0.9 0.9 0.9 0.9 0.9 0.8 0.9 0.8 0.9 0.9 1.0 1.0 0.7 1.0 0.7 0.7 0.9 0.9 0.9 0.8 0.7 0.9 0.9 0.9 1.0 0.8 1.0 0.9 0.5 0.6
0
[Binding site full-atom RMSD matrix]







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