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RORG_HUMAN_263_484_coactiv

Nuclear receptor ROR-gamma [Nuclear hormone receptor family. NR1 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (RORG_HUMAN):D: NR LBD (317, 321, 324, 325, 328, 329, 332, 333, 336, 341, 342, 345, 346, 349, 350, 353:355, 357, 358, 473, 476:484, 487:508)
509:523
317, 321, 324, 325, 328, 329, 332, 333, 336, 341, 342, 345, 346, 349, 350, 353:355, 357, 358, 473, 476:484, 487:523

Full PDB list

3b0w, 3kyt, 3l0j, 3l0l, 4nb6, 4nie, 4qm0, 4wlb, 4wpf, 4wqp, 4xt9, 4ymq, 4ypq, 4zjr, 4zjw, 4zom, 5aph, 5apj, 5apk, 5ayg, 5c4o, 5c4s, 5c4t, 5c4u, 5ejv, 5eth, 5g42, 5g43, 5g44, 5g45, 5g46, 5ixk, 5iz0, 5k38, 5k3l, 5k3m, 5k3n, 5k6e, 5k74, 5lwp, 5m96, 5nti, 5ntk, 5ntn, 5ntp, 5ntq, 5ntw, 5nu1, 5ufo, 5ufr, 5uhi, 5vb3, 5vb5, 5vb6, 5vb7, 5w4r, 5w4v, 5x8q, 5x8s, 5x8u, 5x8w, 5x8x, 5yp6, 6b30, 6bn6, 6br2, 6br3 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
W
3
1
7
A
3
2
1
L
3
2
4
T
3
2
5
I
3
2
8
Q
3
2
9
V
3
3
2
K
3
3
6
F
3
4
1
M
3
4
2
Q
3
4
6
Q
3
4
9
I
3
5
0
L
3
5
3
K
3
5
4
A
3
5
7
M
3
5
8
C
4
7
6
S
4
7
7
Q
4
7
8
V
4
8
0
E
4
8
1
L
4
8
3
Q
4
8
4
Q
4
8
7
I
4
9
2
V
4
9
4
A
4
9
6
A
4
9
7
F
4
9
8
P
5
0
0
L
5
0
1
Y
5
0
2
K
5
0
3
E
5
0
4
L
5
0
5
F
5
0
6
S
5
0
7
E
5
0
9
[1]3l0l.a KHKILHRLLQDS104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]3l0l.b KILHRLLQDS85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]4nie.a HKILHRLLQD89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]4nie.b HKILHRLLQ75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]4wlb.a SLLKKLLD64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]4wpf.d AHKILHRLLQE95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5aph.a KHKILHRLLQDS104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . G
[1]5ejv.a EFPYLLSLLGE86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]5ejv.b FPYLLSLLGEVS94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]5g42.a KILHRLLQDS85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . G
[1]5g45.a KILHRLLQDS85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]5iz0.a EFPYLLSLLG77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]5iz0.g FPYLLSLLG72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]5nti.a TLLQLLLG60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]5ntw.a TLLQLLLGH70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]5ntw.b TLLQLLLGHK79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]5x8u.a KILHRLLQE75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]5x8w.a KILHRLLQE75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]5yp6.a KILHRLLQ61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[2]4zjw.b 4p131 . . . . . . . . . . . . . . . . . . . . . . . . . - - - - - - - - - - - - - -
[2]5m96.a q6y,q6y70 . . . . . . . . . . . . . . . . . . . . . . . . . - - - - - - - - - - - - - -
[2]5x8q.a NMGLEAIIRKALMG103 . . . . . . . . . . . . . . . . . . . . . . . . . . - - - - - - - - - - - - -
[2]5x8q.g TNMGLEAIIRKALMG108 . . . . . . . . . . . . . . . . . . . . . . . . . . - - - - - - - - - - - - -
[2]5x8x.a LEAIIRKALM79 . . . . . . . . . . . . . . . . . . . . . . . . . . - - - - - - - - - - - - -
[2]5x8x.c LEAIIRKALMG83 . . . . . . . . . . . . . . . . . . . . . . . . . . - - - - - - - - - - - - -
[2]5x8x.e TNMGLEAIIRKALM106 . . . . . . . . . . . . . . . . . . . . . . . . . . - - - - - - - - - - - - -
[3]4ypq.a 4f131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[3]5c4s.a 4y533 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[3]5c4t.a 4y633 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[3]5c4u.a 4y733 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[3]5lwp.a 79u35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - -
[4]4qm0.c none . . . . . . . . . . . . . . . . . . . . . . . . - - - . . . . . . . . . . . N
[5]5ntq.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - - - - - - - -
[6]4ymq.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . K
[7]5vb3.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . G

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
W
3
1
7
A
3
2
1
L
3
2
4
T
3
2
5
I
3
2
8
Q
3
2
9
V
3
3
2
E
3
3
3
K
3
3
6
F
3
4
1
M
3
4
2
C
3
4
5
Q
3
4
6
Q
3
4
9
I
3
5
0
L
3
5
3
K
3
5
4
A
3
5
5
A
3
5
7
M
3
5
8
R
4
7
3
C
4
7
6
S
4
7
7
Q
4
7
8
H
4
7
9
V
4
8
0
E
4
8
1
R
4
8
2
L
4
8
3
Q
4
8
4
Q
4
8
7
H
4
8
8
L
4
8
9
H
4
9
0
P
4
9
1
I
4
9
2
V
4
9
3
V
4
9
4
Q
4
9
5
A
4
9
6
A
4
9
7
F
4
9
8
P
4
9
9
P
5
0
0
L
5
0
1
Y
5
0
2
K
5
0
3
E
5
0
4
L
5
0
5
F
5
0
6
S
5
0
7
T
5
0
8
E
5
0
9
T
5
1
0
E
5
1
1
S
5
1
2
P
5
1
3
V
5
1
4
G
5
1
5
L
5
1
6
S
5
1
7
K
5
1
8
.
5
1
9
.
5
2
0
.
5
2
1
.
5
2
2
.
5
2
3
[1]3l0l.a . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . - - - - - - - - - - - - - - - -
[1]3l0l.b . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . - - - - - - - - - - - - - - - -
[1]4nie.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . . - - - - - - - - - - - - - - -
[1]4nie.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . . - - - - - - - - - - - - - - -
[1]4wlb.a . . . . . . . . . . . . * . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . - - - - - - - - - - - - - - - -
[1]4wpf.d . . . . . . . . . . . . * . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . . . - - - - - - - - - - - - - -
[1]5aph.a . . . . . . . . . . . . * . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . G G - - - - - - - - - - - - - -
[1]5ejv.a . . . . . . . . . . . . * . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . - - - - - - - - - - - - - - - -
[1]5ejv.b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . . - - - - - - - - - - - - - - -
[1]5g42.a . . . . . . . . . . . . * . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . G G - - - - - - - - - - - - - -
[1]5g45.a . . . . . . . . . . . . * . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . G - - - - - - - - - - - - - - -
[1]5iz0.a . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . . - - - - - - - - - - - - - - -
[1]5iz0.g . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . . - - - - - - - - - - - - - - -
[1]5nti.a . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . . - - - - - - - - - - - - - - -
[1]5ntw.a . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . . - - - - - - - - - - - - - - -
[1]5ntw.b . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . . - - - - - - - - - - - - - - -
[1]5x8u.a . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . - - - - - - - - - - - - - - - -
[1]5x8w.a . . . . . . . . . . . . * . . . . . . . A . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . - - - - - - - - - - - - - - - -
[1]5yp6.a . . . . . . . . . . . . * . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . - - - - - - - - - - - - - - - -
[2]4zjw.b . . . . . * . . * . . . * . . . * . . . . . . . . . * . * . . - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
[2]5m96.a . . . . . . . . . . . . * . . . . . . . . . . . . . . . . * * . . - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
[2]5x8q.a . . . . . * . . . . . . * . . . . . . . A . * . . * * . . . . . . . . . . - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
[2]5x8q.g . . . . . * . . . . . . * . . . . . . . A . * . . * * . . . . . . . . . . - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
[2]5x8x.a . . . . . * . . * . . . * . . . . . . . A . * . . * . . . . . . . . . . . - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
[2]5x8x.c . . . . . * . . * . . . * . . . . . . . A . * . . * . . . . . . . . . . . - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
[2]5x8x.e . . . . . * . . * . . . * . . . . . . . A . . . . * . . . * . . . . . . . - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
[3]4ypq.a . . . . . . . . . . . . * . . . . . . . . . . . . . . . . * . . . . . . . . . * * * * * * * * * * * * - - - - - - - - - - - - - - - -
[3]5c4s.a . . . . . * . . * . . . * . . . . . . . . . . . . . . . . * . . . . . . . . . * * * * * * * * * * * * - - - - - - - - - - - - - - - -
[3]5c4t.a . . . . . . . . . . . . * . . . . . . . . . . . . . . . . * . . . . . . . . . * * * * * * * * * * * * - - - - - - - - - - - - - - - -
[3]5c4u.a . . . . . . . . * . . . * . . . * . . . . . . . . . . . . * . . . . . . . . . * * * * * * * * * * * * - - - - - - - - - - - - - - - -
[3]5lwp.a . . . . . . . . * . . . * . . . . . . . . . . . . . . . . * . . . . . . . . . * * * * * * * * * * * - - - - - - - - - - - - - - - - -
[4]4qm0.c . . . . . . . . . . . . * . . . . . . . . . . . . . . . * . - - - - - - - - * * * * * * * * * * * * * G N S - - - - - - - - - - - - -
[5]5ntq.a . . . . . . . . . . . . * . . . . . . . . . . . . . . . . * . . * * * * * * * * * * - - - - - - - - - - - - - - - - - - - - - - - - -
[6]4ymq.a . . . . . . . . . . . . * . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . G K I L H R L L Q D S - - - - -
[7]5vb3.a . . . . . . . . . . . . * . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . G G G * K H K I * H R L L Q D S

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
3l0l.a:KHKILHRLLQDS
3l0l.b:KILHRLLQDS
4nie.a:HKILHRLLQD
4nie.b:HKILHRLLQ
4wlb.a:SLLKKLLD
4wpf.d:AHKILHRLLQE
5aph.a:KHKILHRLLQDS
5ejv.a:EFPYLLSLLGE
5ejv.b:FPYLLSLLGEVS
5g42.a:KILHRLLQDS
5g45.a:KILHRLLQDS
5iz0.a:EFPYLLSLLG
5iz0.g:FPYLLSLLG
5nti.a:TLLQLLLG
5ntw.a:TLLQLLLGH
5ntw.b:TLLQLLLGHK
5x8u.a:KILHRLLQE
5x8w.a:KILHRLLQE
5yp6.a:KILHRLLQ
4zjw.b:4p1
5m96.a:q6y
5x8q.a:NMGLEAIIRKALMG
5x8q.g:TNMGLEAIIRKALMG
5x8x.a:LEAIIRKALM
5x8x.c:LEAIIRKALMG
5x8x.e:TNMGLEAIIRKALM
4ypq.a:4f1
5c4s.a:4y5
5c4t.a:4y6
5c4u.a:4y7
5lwp.a:79u
4qm0.c is apo
5ntq.a is apo
4ymq.a is apo
5vb3.a is apo
[1] 3l0l.a
0.3
1.2 0.8 1.0 0.5 1.4 1.2 0.7 0.4 0.2 0.5 1.1 1.5 0.5 1.5 2.2 0.8 0.4 0.6 0 8.3 18 18 12 13 20 11 11 12 11 10 - - - -
[1] 3l0l.b 0.6
0
0.2 0.2 0.1 0.5 0.9 0.7 0.8 0.3 0.1 0.3 0.8 0.1 1.7 2.6 0.4 0.1 0.3 0 7.5 18 18 11 11 18 11 11 11 11 11 - - - -
[1] 4nie.a 0.1 0.2
0
0 0.1 0.5 0.5 0.4 0.6 0.1 0.1 0.4 0.9 0 0 0.4 0.2 0.1 0.3 0 7.7 17 16 12 12 17 12 12 11 11 12 - - - -
[1] 4nie.b 0.3 0 0.1
0
0 0.5 0.5 0.4 0.8 0.1 0.1 0.2 0.5 0.2 0 0.2 0.2 0.1 0.2 0 7.5 18 17 12 12 17 12 12 11 11 11 - - - -
[1] 4wlb.a 0.3 0.7 0.4 0.6
0
0.4 0.4 0.5 0.9 0.1 0.2 0.7 1.2 0 1.0 2.0 0.1 0.1 0.2 0 7.7 17 17 12 12 17 11 11 11 11 11 - - - -
[1] 4wpf.d 0.5 1.9 1.7 2.0 0.3
0.1
0.1 2.2 2.4 0.3 0.2 1.7 2.5 0.2 1.0 1.3 0.1 0.1 0.1 0 8.1 20 19 12 13 19 12 11 12 12 11 - - - -
[1] 5aph.a 3.7 2.3 2.0 2.5 0.5 0.4
0
2.7 2.8 0.1 0.3 2.8 2.7 0.5 1.8 2.8 0.1 0.1 0.4 0 9.1 21 22 14 14 22 12 11 11 12 11 - - - -
[1] 5ejv.a 0.8 1.9 1.2 1.6 1.0 1.0 1.4
0
0 0 0.3 1.0 1.5 1.1 1.1 2.1 0.6 0.3 0.4 0 8.5 18 18 12 12 19 11 11 11 11 10 - - - -
[1] 5ejv.b 0.2 0.7 0.5 0.5 0.5 0.8 0.7 0.1
0
0 0.1 0.7 0.8 0.6 0.4 0.4 0.4 0.1 0.2 0 8.2 18 18 12 12 18 11 11 10 11 11 - - - -
[1] 5g42.a 3.2 2.2 2.5 3.1 1.0 1.2 0.8 1.6 1.7
0.1
0.4 2.1 2.7 0.9 1.9 2.8 0.4 0.2 0.3 0 8.8 21 22 14 14 23 12 11 11 11 11 - - - -
[1] 5g45.a 2.1 2.0 2.2 2.3 0.6 0.7 0.5 1.7 1.9 0.2
0
2.3 2.4 0.3 1.2 2.1 0.2 0 0.1 0 7.3 20 20 12 13 18 11 11 11 12 11 - - - -
[1] 5iz0.a 0.4 0.3 0 0.2 0 0.8 0.8 0.1 0.1 0.2 0.2
0
0.3 0.1 1.2 1.7 0.2 0.1 0.3 0 7.5 18 17 11 11 16 10 11 10 10 10 - - - -
[1] 5iz0.g 0.3 0.4 0.1 0.1 0 0.5 0.9 0.1 0.1 0 0 0
0
0 0.3 0.8 0.1 0 0 0 6.9 16 16 11 12 16 10 12 10 11 9.8 - - - -
[1] 5nti.a 0.4 0.2 0.1 0.3 0 0.4 0.6 0.2 0.2 0.1 0.1 0.7 1.1
0
0 0.1 0.2 0.1 0.2 0 7.4 17 18 12 13 17 11 11 12 12 10 - - - -
[1] 5ntw.a 0.1 0.3 0.1 0.6 0.1 0.4 0.4 0.4 0.7 0.1 0.1 1.0 1.5 0.1
0
0.2 0.2 0.1 0.2 0 7.4 18 17 13 13 18 11 12 11 11 12 - - - -
[1] 5ntw.b 0.2 0.2 0.1 0.3 0.1 0.5 0.6 0.1 0.3 0.1 0.1 0.9 1.2 0.1 0
0
0.2 0.1 0.2 0 7.4 16 17 12 12 18 11 11 11 11 11 - - - -
[1] 5x8u.a 0.9 2.1 1.4 1.6 0.7 0.5 0.1 0.9 1.1 0.2 0.3 1.9 1.6 0.6 1.9 2.3
0.1
0.1 0.2 0 8.3 19 18 13 13 18 12 11 11 12 11 - - - -
[1] 5x8w.a 1.1 2.4 1.4 2.0 0.8 0.9 0.5 0.8 1.0 0.3 0.4 1.7 1.8 0.6 1.8 2.3 0.1
0.1
0.2 0 8.3 18 17 13 13 18 11 11 11 12 11 - - - -
[1] 5yp6.a 0.4 1.6 1.6 2.2 0.2 0.4 0.3 1.1 1.6 0.1 0.1 1.9 2.2 0.2 1.0 2.3 0.1 0
0.1
0 8.3 20 18 13 14 20 12 11 12 11 10 - - - -
[2] 4zjw.b 1.7 2.1 2.6 2.5 1.2 1.6 1.7 3.1 3.3 1.7 2.1 3.1 3.5 1.8 2.8 3.5 2.0 2.0 2.0
0
2.9 2.1 2.1 2.1 2.3 2.9 1.7 1.8 1.4 1.4 2.0 - - - -
[2] 5m96.a 0.9 1.4 0.9 1.0 0.3 0.1 0.1 0.5 0.7 0.3 0.2 0.5 0.5 0 1.6 1.3 0 0 0.3 0
0
1.6 1.1 0 0 1.2 1.7 1.8 2.0 1.3 1.8 - - - -
[2] 5x8q.a 0.4 0.9 0.6 0.9 0.1 0.1 0.1 0.2 0.2 0.3 0.1 0.6 0.6 0 1.4 1.0 0.1 0.1 0.1 0 1.7
0
0 0.1 0.1 0.3 3.9 3.5 4.4 3.1 5.4 - - - -
[2] 5x8q.g 0.9 1.6 1.3 1.5 0.4 0.5 0.4 0.9 0.7 0.5 0.3 1.4 1.0 0.1 1.5 1.5 0.1 0.1 0.4 0 1.3 0
0
0.1 0.1 0.4 3.5 3.7 4.8 3.1 5.6 - - - -
[2] 5x8x.a 0.9 1.4 0.8 1.0 0.5 0.7 0.4 1.1 0.9 1.2 0.8 1.0 0.8 0.5 2.0 1.4 0.4 0.4 0.8 0 0.9 0.3 0.1
0
0 0 2.4 2.7 3.1 2.2 3.8 - - - -
[2] 5x8x.c 1.4 2.3 1.6 2.0 0.9 0.9 0.5 1.5 1.3 1.0 1.0 1.8 1.6 0.7 1.6 2.2 0.4 0.4 0.7 0 0.9 0.3 0.1 0
0.1
0 2.1 2.7 3.0 2.0 3.8 - - - -
[2] 5x8x.e 1.0 2.0 1.2 1.6 0.9 0.8 0.5 1.5 1.3 1.3 1.0 1.5 1.1 0.7 2.5 1.6 0.5 0.4 0.8 0 0.9 0.3 0.1 0 0
0
1.9 2.1 3.0 2.0 3.3 - - - -
[3] 4ypq.a 30 27 30 29 23 27 22 27 27 22 22 30 32 24 24 24 24 24 24 0 9.0 35 32 28 28 33
0
0 0 0.1 0.2 - - - -
[3] 5c4s.a 31 27 29 29 25 28 24 26 27 21 23 30 31 26 25 26 23 23 23 0 10 36 33 29 29 35 0.1
0
0 0.3 0.2 - - - -
[3] 5c4t.a 27 24 24 23 20 27 22 26 24 17 18 28 30 22 22 23 21 20 20 0 9.1 34 32 28 29 33 0.2 0.3
0
0.8 0 - - - -
[3] 5c4u.a 33 30 32 31 26 32 28 29 30 24 24 34 34 27 26 28 25 25 25 0 12 35 33 29 30 33 0 0.1 0.3
0
0.6 - - - -
[3] 5lwp.a 28 26 29 29 23 24 22 27 27 20 23 29 31 23 23 24 23 23 23 0 9.1 36 32 28 27 34 0.5 0.4 0.3 0.8
0
- - - -
[4] 4qm0.c 33 32 36 35 30 34 33 34 35 30 31 35 34 29 30 31 32 32 30 0 21 38 45 41 42 42 3.7 4.1 4.3 5.6 6.1
-
- - -
[5] 5ntq.a 7.3 9.1 8.1 9.1 8.2 9.7 9.7 7.7 8.3 8.3 8.1 8.2 9.0 7.1 8.6 9.9 9.6 9.7 7.5 0 14 29 29 24 26 31 8.9 10 10 9.3 9.1 -
-
- -
[6] 4ymq.a 49 46 48 41 39 59 54 39 40 51 52 43 39 39 40 43 54 52 45 0 15 44 41 36 36 39 12 12 11 12 12 - -
-
-
[7] 5vb3.a 53 46 48 41 38 61 60 39 39 49 54 44 40 38 40 43 52 49 47 0 17 51 46 37 38 44 12 13 11 12 11 - - -
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (7 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
3l0l.a
3l0l.b
4nie.a
4nie.b
4wlb.a
4wpf.d
5aph.a
5ejv.a
5ejv.b
5g42.a
5g45.a
5iz0.a
5iz0.g
5nti.a
5ntw.a
5ntw.b
5x8u.a
5x8w.a
5yp6.a
4zjw.b
5m96.a
5x8q.a
5x8q.g
5x8x.a
5x8x.c
5x8x.e
4ypq.a
5c4s.a
5c4t.a
5c4u.a
5lwp.a
4qm0.c
5ntq.a
4ymq.a
5vb3.a
[1] 3l0l.a
0
.05 .07 .06 .06 .07 .12 .06 .08 .11 .08 .07 .08 .08 .08 .07 .05 .05 .06 .41 .39 .41 .40 .39 .39 .39 .44 .46 .42 .44 .42 .56 .84 .94 1.1
[1] 3l0l.b .05
0
.07 .06 .04 .07 .12 .06 .06 .11 .07 .05 .09 .07 .08 .08 .04 .04 .05 .41 .39 .42 .41 .39 .38 .38 .43 .44 .41 .44 .40 .57 .83 .94 1.1
[1] 4nie.a .07 .07
0
.03 .06 .08 .15 .07 .05 .15 .09 .05 .05 .05 .05 .04 .06 .07 .09 .40 .38 .40 .40 .39 .40 .39 .47 .49 .44 .48 .43 .60 .84 .95 1.1
[1] 4nie.b .06 .06 .03
0
.05 .08 .15 .08 .05 .14 .09 .06 .05 .04 .03 .04 .07 .07 .08 .41 .39 .42 .42 .40 .40 .40 .47 .48 .44 .47 .43 .60 .86 .95 1.1
[1] 4wlb.a .06 .04 .06 .05
0
.06 .12 .07 .07 .11 .05 .04 .06 .05 .04 .05 .04 .04 .05 .39 .38 .41 .40 .40 .39 .39 .44 .47 .43 .46 .42 .57 .84 .93 1.1
[1] 4wpf.d .07 .07 .08 .08 .06
0
.10 .08 .07 .10 .05 .06 .06 .05 .06 .08 .06 .05 .04 .41 .40 .43 .43 .42 .43 .42 .43 .47 .41 .46 .42 .56 .87 .95 1.1
[1] 5aph.a .12 .12 .15 .15 .12 .10
0
.13 .13 .02 .09 .13 .14 .13 .13 .14 .12 .11 .09 .47 .47 .49 .50 .49 .48 .48 .50 .53 .49 .52 .48 .59 .90 .94 1.1
[1] 5ejv.a .06 .06 .07 .08 .07 .08 .13
0
.05 .12 .10 .07 .08 .09 .09 .07 .07 .07 .08 .41 .39 .40 .41 .41 .41 .41 .46 .48 .44 .47 .44 .55 .84 .95 1.1
[1] 5ejv.b .08 .06 .05 .05 .07 .07 .13 .05
0
.13 .09 .06 .06 .04 .05 .05 .06 .06 .07 .43 .39 .41 .43 .41 .42 .41 .45 .48 .43 .49 .44 .58 .86 .95 1.1
[1] 5g42.a .11 .11 .15 .14 .11 .10 .02 .12 .13
0
.08 .12 .14 .13 .14 .13 .11 .12 .08 .47 .47 .49 .49 .49 .48 .48 .50 .52 .48 .51 .48 .59 .92 .93 1.1
[1] 5g45.a .08 .07 .09 .09 .05 .05 .09 .10 .09 .08
0
.06 .08 .06 .07 .08 .05 .05 .05 .42 .41 .44 .43 .43 .42 .41 .45 .48 .43 .48 .43 .57 .86 .94 1.1
[1] 5iz0.a .07 .05 .05 .06 .04 .06 .13 .07 .06 .12 .06
0
.06 .05 .07 .06 .04 .04 .07 .41 .36 .40 .40 .39 .40 .38 .43 .46 .41 .46 .41 .56 .83 .94 1.1
[1] 5iz0.g .08 .09 .05 .05 .06 .06 .14 .08 .06 .14 .08 .06
0
.05 .05 .05 .07 .07 .08 .40 .38 .41 .41 .40 .40 .40 .46 .49 .44 .47 .42 .59 .85 .95 1.1
[1] 5nti.a .08 .07 .05 .04 .05 .05 .13 .09 .04 .13 .06 .05 .05
0
.03 .03 .05 .05 .07 .41 .39 .42 .42 .41 .41 .41 .45 .48 .43 .48 .44 .59 .86 .95 1.1
[1] 5ntw.a .08 .08 .05 .03 .04 .06 .13 .09 .05 .14 .07 .07 .05 .03
0
.04 .06 .06 .07 .41 .40 .43 .43 .41 .42 .41 .47 .50 .45 .48 .45 .60 .86 .95 1.1
[1] 5ntw.b .07 .08 .04 .04 .05 .08 .14 .07 .05 .13 .08 .06 .05 .03 .04
0
.07 .07 .09 .42 .39 .41 .41 .41 .41 .41 .47 .51 .46 .49 .46 .60 .85 .95 1.1
[1] 5x8u.a .05 .04 .06 .07 .04 .06 .12 .07 .06 .11 .05 .04 .07 .05 .06 .07
0
.01 .05 .42 .38 .42 .41 .40 .39 .39 .42 .46 .40 .46 .41 .56 .83 .92 1.1
[1] 5x8w.a .05 .04 .07 .07 .04 .05 .11 .07 .06 .12 .05 .04 .07 .05 .06 .07 .01
0
.05 .41 .37 .41 .40 .39 .38 .38 .42 .46 .40 .46 .41 .57 .82 .93 1.1
[1] 5yp6.a .06 .05 .09 .08 .05 .04 .09 .08 .07 .08 .05 .07 .08 .07 .07 .09 .05 .05
0
.41 .41 .44 .44 .43 .42 .42 .43 .46 .41 .45 .42 .57 .86 .93 1.1
[2] 4zjw.b .41 .41 .40 .41 .39 .41 .47 .41 .43 .47 .42 .41 .40 .41 .41 .42 .42 .41 .41
0
.14 .14 .14 .13 .13 .13 .78 .77 .75 .78 .71 .92 .60 1.3 1.4
[2] 5m96.a .39 .39 .38 .39 .38 .40 .47 .39 .39 .47 .41 .36 .38 .39 .40 .39 .38 .37 .41 .14
0
.14 .14 .10 .12 .11 .69 .72 .67 .73 .65 .92 .53 1.3 1.4
[2] 5x8q.a .41 .42 .40 .42 .41 .43 .49 .40 .41 .49 .44 .40 .41 .42 .43 .41 .42 .41 .44 .14 .14
0
.02 .06 .06 .07 .78 .80 .76 .80 .74 .93 .60 1.3 1.4
[2] 5x8q.g .40 .41 .40 .42 .40 .43 .50 .41 .43 .49 .43 .40 .41 .42 .43 .41 .41 .40 .44 .14 .14 .02
0
.05 .05 .06 .77 .79 .75 .79 .72 .93 .61 1.3 1.4
[2] 5x8x.a .39 .39 .39 .40 .40 .42 .49 .41 .41 .49 .43 .39 .40 .41 .41 .41 .40 .39 .43 .13 .10 .06 .05
0
.02 .02 .74 .75 .71 .75 .68 .92 .58 1.3 1.4
[2] 5x8x.c .39 .38 .40 .40 .39 .43 .48 .41 .42 .48 .42 .40 .40 .41 .42 .41 .39 .38 .42 .13 .12 .06 .05 .02
0
.02 .74 .74 .72 .75 .67 .93 .57 1.3 1.4
[2] 5x8x.e .39 .38 .39 .40 .39 .42 .48 .41 .41 .48 .41 .38 .40 .41 .41 .41 .39 .38 .42 .13 .11 .07 .06 .02 .02
0
.73 .74 .70 .75 .67 .92 .56 1.3 1.4
[3] 4ypq.a .44 .43 .47 .47 .44 .43 .50 .46 .45 .50 .45 .43 .46 .45 .47 .47 .42 .42 .43 .78 .69 .78 .77 .74 .74 .73
0
.08 .10 .09 .12 .35 .93 1.3 1.5
[3] 5c4s.a .46 .44 .49 .48 .47 .47 .53 .48 .48 .52 .48 .46 .49 .48 .50 .51 .46 .46 .46 .77 .72 .80 .79 .75 .74 .74 .08
0
.13 .08 .11 .35 .95 1.4 1.5
[3] 5c4t.a .42 .41 .44 .44 .43 .41 .49 .44 .43 .48 .43 .41 .44 .43 .45 .46 .40 .40 .41 .75 .67 .76 .75 .71 .72 .70 .10 .13
0
.12 .14 .37 .97 1.3 1.4
[3] 5c4u.a .44 .44 .48 .47 .46 .46 .52 .47 .49 .51 .48 .46 .47 .48 .48 .49 .46 .46 .45 .78 .73 .80 .79 .75 .75 .75 .09 .08 .12
0
.13 .36 .96 1.3 1.5
[3] 5lwp.a .42 .40 .43 .43 .42 .42 .48 .44 .44 .48 .43 .41 .42 .44 .45 .46 .41 .41 .42 .71 .65 .74 .72 .68 .67 .67 .12 .11 .14 .13
0
.41 .89 1.3 1.4
[4] 4qm0.c .56 .57 .60 .60 .57 .56 .59 .55 .58 .59 .57 .56 .59 .59 .60 .60 .56 .57 .57 .92 .92 .93 .93 .92 .93 .92 .35 .35 .37 .36 .41
0
1.1 1.4 1.6
[5] 5ntq.a .84 .83 .84 .86 .84 .87 .90 .84 .86 .92 .86 .83 .85 .86 .86 .85 .83 .82 .86 .60 .53 .60 .61 .58 .57 .56 .93 .95 .97 .96 .89 1.1
0
1.7 1.9
[6] 4ymq.a .94 .94 .95 .95 .93 .95 .94 .95 .95 .93 .94 .94 .95 .95 .95 .95 .92 .93 .93 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.3 1.4 1.3 1.3 1.3 1.4 1.7
0
.87
[7] 5vb3.a 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.1 1.4 1.4 1.4 1.4 1.4 1.4 1.4 1.5 1.5 1.4 1.5 1.4 1.6 1.9 .87
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 4.8 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
3l0l.a
3l0l.b
4nie.a
4nie.b
4wlb.a
4wpf.d
5aph.a
5ejv.a
5ejv.b
5g42.a
5g45.a
5iz0.a
5iz0.g
5nti.a
5ntw.a
5ntw.b
5x8u.a
5x8w.a
5yp6.a
4zjw.b
5m96.a
5x8q.a
5x8q.g
5x8x.a
5x8x.c
5x8x.e
4ypq.a
5c4s.a
5c4t.a
5c4u.a
5lwp.a
4qm0.c
5ntq.a
4ymq.a
5vb3.a
[1] 3l0l.a
0
0.6 0.5 0.6 0.5 0.8 0.6 0.5 0.5 0.6 0.7 0.5 1.1 0.6 0.4 0.6 0.8 0.8 0.7 4.3 2.5 6.6 6.7 6.1 6.1 5.7 6.0 6.0 5.5 6.4 6.0 7.6 7.4 0.6 0.6
[1] 3l0l.b 0.6
0
0.3 0.3 0.3 0.5 0.6 0.7 0.3 0.6 0.4 0.3 0.6 0.4 0.5 0.6 0.5 0.5 0.5 4.5 2.7 6.9 7.0 6.3 6.3 5.9 6.3 6.3 5.8 6.7 6.2 7.8 7.5 0.3 0.4
[1] 4nie.a 0.5 0.3
0
0.4 0.2 0.6 0.9 0.6 0.4 0.9 0.7 0.4 0.7 0.3 0.3 0.5 0.5 0.5 0.6 4.5 2.6 6.8 6.9 6.3 6.3 5.8 6.2 6.2 5.8 6.7 6.1 8.5 7.5 0.4 0.4
[1] 4nie.b 0.6 0.3 0.4
0
0.3 0.7 1.0 0.7 0.6 1.1 0.8 0.3 0.7 0.4 0.5 0.7 0.7 0.7 0.7 4.4 2.6 6.7 6.8 6.1 6.2 5.7 6.2 6.2 5.7 6.6 6.1 8.6 7.5 0.5 0.5
[1] 4wlb.a 0.5 0.3 0.2 0.3
0
0.5 0.6 0.6 0.4 0.6 0.4 0.3 0.7 0.3 0.4 0.5 0.6 0.6 0.6 4.4 2.6 6.8 6.9 6.2 6.2 5.8 6.2 6.2 5.8 6.7 6.1 7.8 7.5 0.3 0.4
[1] 4wpf.d 0.8 0.5 0.6 0.7 0.5
0
1.0 0.6 0.5 1.0 0.5 0.7 0.8 0.6 0.7 0.7 0.3 0.3 0.3 4.7 2.9 7.2 7.3 6.6 6.6 6.2 6.5 6.5 6.0 6.9 6.3 9.1 7.6 1.8 0.6
[1] 5aph.a 0.6 0.6 0.9 1.0 0.6 1.0
0
0.5 0.8 0.1 0.6 0.9 1.3 1.0 0.9 1.0 0.7 0.7 0.5 4.5 2.7 6.8 6.9 6.3 6.3 5.9 6.2 6.2 5.7 6.6 6.1 8.5 7.4 1.4 1.0
[1] 5ejv.a 0.5 0.7 0.6 0.7 0.6 0.6 0.5
0
0.5 0.5 0.6 0.6 1.0 0.6 0.5 0.6 0.6 0.6 0.5 4.4 2.6 6.9 7.0 6.4 6.4 6.0 6.1 6.1 5.7 6.5 6.0 7.6 7.4 0.5 0.5
[1] 5ejv.b 0.5 0.3 0.4 0.6 0.4 0.5 0.8 0.5
0
0.8 0.8 0.5 0.8 0.5 0.5 0.5 0.4 0.5 0.3 4.5 2.8 7.0 7.1 6.4 6.5 6.0 6.3 6.3 5.8 6.7 6.2 8.4 7.5 0.4 0.4
[1] 5g42.a 0.6 0.6 0.9 1.1 0.6 1.0 0.1 0.5 0.8
0
0.6 1.0 1.3 1.0 0.9 0.9 0.6 0.7 0.4 4.5 2.7 6.9 7.0 6.3 6.4 5.9 6.2 6.2 5.7 6.6 6.1 8.4 7.4 1.4 1.0
[1] 5g45.a 0.7 0.4 0.7 0.8 0.4 0.5 0.6 0.6 0.8 0.6
0
0.8 0.9 0.8 0.8 0.8 0.3 0.3 0.4 4.5 2.7 7.0 7.1 6.5 6.5 6.0 6.4 6.4 5.9 6.8 6.3 8.2 7.5 0.6 0.6
[1] 5iz0.a 0.5 0.3 0.4 0.3 0.3 0.7 0.9 0.6 0.5 1.0 0.8
0
0.7 0.5 0.4 0.6 0.7 0.7 0.7 4.4 2.6 6.7 6.8 6.1 6.2 5.7 6.2 6.2 5.7 6.6 6.1 8.6 7.5 0.5 0.5
[1] 5iz0.g 1.1 0.6 0.7 0.7 0.7 0.8 1.3 1.0 0.8 1.3 0.9 0.7
0
0.7 0.9 0.8 0.7 0.7 0.8 4.8 3.0 7.2 7.3 6.6 6.6 6.2 6.6 6.7 6.2 7.1 6.5 8.8 7.8 0.7 0.7
[1] 5nti.a 0.6 0.4 0.3 0.4 0.3 0.6 1.0 0.6 0.5 1.0 0.8 0.5 0.7
0
0.4 0.5 0.5 0.5 0.6 4.5 2.7 7.0 7.0 6.4 6.4 6.0 6.3 6.3 5.8 6.7 6.2 8.6 7.5 0.5 0.5
[1] 5ntw.a 0.4 0.5 0.3 0.5 0.4 0.7 0.9 0.5 0.5 0.9 0.8 0.4 0.9 0.4
0
0.5 0.6 0.7 0.6 4.3 2.5 6.7 6.8 6.2 6.2 5.8 6.2 6.2 5.7 6.6 6.1 8.5 7.4 0.5 0.5
[1] 5ntw.b 0.6 0.6 0.5 0.7 0.5 0.7 1.0 0.6 0.5 0.9 0.8 0.6 0.8 0.5 0.5
0
0.6 0.7 0.6 4.6 2.9 7.0 7.2 6.5 6.5 6.1 6.4 6.4 5.9 6.8 6.3 8.5 7.5 0.6 0.6
[1] 5x8u.a 0.8 0.5 0.5 0.7 0.6 0.3 0.7 0.6 0.4 0.6 0.3 0.7 0.7 0.5 0.6 0.6
0
0.1 0.3 4.6 2.8 7.2 7.3 6.6 6.6 6.2 6.5 6.5 6.0 6.9 6.3 7.7 7.6 0.4 0.4
[1] 5x8w.a 0.8 0.5 0.5 0.7 0.6 0.3 0.7 0.6 0.5 0.7 0.3 0.7 0.7 0.5 0.7 0.7 0.1
0
0.4 4.6 2.8 7.2 7.3 6.6 6.6 6.2 6.5 6.5 6.0 6.9 6.3 7.7 7.6 0.4 0.5
[1] 5yp6.a 0.7 0.5 0.6 0.7 0.6 0.3 0.5 0.5 0.3 0.4 0.4 0.7 0.8 0.6 0.6 0.6 0.3 0.4
0
4.6 2.8 7.1 7.2 6.6 6.6 6.1 6.4 6.4 5.9 6.8 6.3 7.7 7.5 0.4 0.4
[2] 4zjw.b 4.3 4.5 4.5 4.4 4.4 4.7 4.5 4.4 4.5 4.5 4.5 4.4 4.8 4.5 4.3 4.6 4.6 4.6 4.6
0
2.9 3.5 3.4 3.1 3.1 3.1 2.5 2.7 2.9 2.5 2.8 2.1 3.4 4.5 4.5
[2] 5m96.a 2.5 2.7 2.6 2.6 2.6 2.9 2.7 2.6 2.8 2.7 2.7 2.6 3.0 2.7 2.5 2.9 2.8 2.8 2.8 2.9
0
5.0 4.9 4.4 4.3 4.1 0.8 0.8 0.6 1.1 0.5 0.9 2.3 2.7 2.7
[2] 5x8q.a 6.6 6.9 6.8 6.7 6.8 7.2 6.8 6.9 7.0 6.9 7.0 6.7 7.2 7.0 6.7 7.0 7.2 7.2 7.1 3.5 5.0
0
0.4 1.0 1.1 1.4 4.9 5.2 5.2 4.9 5.3 4.1 8.2 6.9 6.9
[2] 5x8q.g 6.7 7.0 6.9 6.8 6.9 7.3 6.9 7.0 7.1 7.0 7.1 6.8 7.3 7.0 6.8 7.2 7.3 7.3 7.2 3.4 4.9 0.4
0
0.9 0.9 1.4 4.9 5.2 5.2 4.9 5.3 4.1 8.2 7.0 7.0
[2] 5x8x.a 6.1 6.3 6.3 6.1 6.2 6.6 6.3 6.4 6.4 6.3 6.5 6.1 6.6 6.4 6.2 6.5 6.6 6.6 6.6 3.1 4.4 1.0 0.9
0
0.3 0.6 4.5 4.7 4.7 4.5 4.8 3.7 7.9 6.3 6.3
[2] 5x8x.c 6.1 6.3 6.3 6.2 6.2 6.6 6.3 6.4 6.5 6.4 6.5 6.2 6.6 6.4 6.2 6.5 6.6 6.6 6.6 3.1 4.3 1.1 0.9 0.3
0
0.6 4.5 4.8 4.8 4.6 4.8 3.7 8.0 6.4 6.4
[2] 5x8x.e 5.7 5.9 5.8 5.7 5.8 6.2 5.9 6.0 6.0 5.9 6.0 5.7 6.2 6.0 5.8 6.1 6.2 6.2 6.1 3.1 4.1 1.4 1.4 0.6 0.6
0
4.3 4.5 4.5 4.4 4.6 3.5 7.8 5.9 5.9
[3] 4ypq.a 6.0 6.3 6.2 6.2 6.2 6.5 6.2 6.1 6.3 6.2 6.4 6.2 6.6 6.3 6.2 6.4 6.5 6.5 6.4 2.5 0.8 4.9 4.9 4.5 4.5 4.3
0
0.5 0.9 0.8 0.7 6.3 4.6 6.3 6.3
[3] 5c4s.a 6.0 6.3 6.2 6.2 6.2 6.5 6.2 6.1 6.3 6.2 6.4 6.2 6.7 6.3 6.2 6.4 6.5 6.5 6.4 2.7 0.8 5.2 5.2 4.7 4.8 4.5 0.5
0
0.8 0.7 0.6 6.2 4.5 6.3 6.3
[3] 5c4t.a 5.5 5.8 5.8 5.7 5.8 6.0 5.7 5.7 5.8 5.7 5.9 5.7 6.2 5.8 5.7 5.9 6.0 6.0 5.9 2.9 0.6 5.2 5.2 4.7 4.8 4.5 0.9 0.8
0
1.3 0.8 6.2 4.7 5.8 5.8
[3] 5c4u.a 6.4 6.7 6.7 6.6 6.7 6.9 6.6 6.5 6.7 6.6 6.8 6.6 7.1 6.7 6.6 6.8 6.9 6.9 6.8 2.5 1.1 4.9 4.9 4.5 4.6 4.4 0.8 0.7 1.3
0
1.1 6.1 4.5 6.8 6.7
[3] 5lwp.a 6.0 6.2 6.1 6.1 6.1 6.3 6.1 6.0 6.2 6.1 6.3 6.1 6.5 6.2 6.1 6.3 6.3 6.3 6.3 2.8 0.5 5.3 5.3 4.8 4.8 4.6 0.7 0.6 0.8 1.1
0
5.8 4.6 6.2 6.2
[4] 4qm0.c 7.6 7.8 8.5 8.6 7.8 9.1 8.5 7.6 8.4 8.4 8.2 8.6 8.8 8.6 8.5 8.5 7.7 7.7 7.7 2.1 0.9 4.1 4.1 3.7 3.7 3.5 6.3 6.2 6.2 6.1 5.8
0
3.9 8.6 9.4
[5] 5ntq.a 7.4 7.5 7.5 7.5 7.5 7.6 7.4 7.4 7.5 7.4 7.5 7.5 7.8 7.5 7.4 7.5 7.6 7.6 7.5 3.4 2.3 8.2 8.2 7.9 8.0 7.8 4.6 4.5 4.7 4.5 4.6 3.9
0
7.6 7.5
[6] 4ymq.a 0.6 0.3 0.4 0.5 0.3 1.8 1.4 0.5 0.4 1.4 0.6 0.5 0.7 0.5 0.5 0.6 0.4 0.4 0.4 4.5 2.7 6.9 7.0 6.3 6.4 5.9 6.3 6.3 5.8 6.8 6.2 8.6 7.6
0
3.9
[7] 5vb3.a 0.6 0.4 0.4 0.5 0.4 0.6 1.0 0.5 0.4 1.0 0.6 0.5 0.7 0.5 0.5 0.6 0.4 0.5 0.4 4.5 2.7 6.9 7.0 6.3 6.4 5.9 6.3 6.3 5.8 6.7 6.2 9.4 7.5 3.9
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 4.4 Å)

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

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
3l0l.a
3l0l.b
4nie.a
4nie.b
4wlb.a
4wpf.d
5aph.a
5ejv.a
5ejv.b
5g42.a
5g45.a
5iz0.a
5iz0.g
5nti.a
5ntw.a
5ntw.b
5x8u.a
5x8w.a
5yp6.a
4zjw.b
5m96.a
5x8q.a
5x8q.g
5x8x.a
5x8x.c
5x8x.e
4ypq.a
5c4s.a
5c4t.a
5c4u.a
5lwp.a
4qm0.c
5ntq.a
4ymq.a
5vb3.a
[1] 3l0l.a
0
1.1 1.0 1.1 1.1 1.2 1.1 1.1 1.1 1.1 1.0 1.1 1.6 1.2 1.1 1.2 1.2 1.1 1.1 4.6 3.2 7.1 7.2 6.6 6.5 6.2 6.7 6.7 6.3 7.0 6.6 8.3 8.0 1.1 1.2
[1] 3l0l.b 1.1
0
1.0 0.9 0.8 1.1 1.1 1.2 1.1 1.2 1.1 1.1 1.1 1.1 1.1 1.1 1.0 1.0 1.1 4.8 3.2 7.2 7.4 6.8 6.7 6.4 6.9 6.9 6.5 7.2 6.8 8.4 8.2 1.1 1.1
[1] 4nie.a 1.0 1.0
0
0.7 0.7 1.0 1.2 1.0 0.8 1.1 1.2 0.8 1.2 0.8 0.7 0.8 1.0 0.9 0.8 4.8 3.3 7.3 7.5 6.8 6.8 6.5 6.9 6.9 6.5 7.2 6.8 8.8 8.2 0.8 1.0
[1] 4nie.b 1.1 0.9 0.7
0
0.9 1.1 1.3 1.2 1.1 1.3 1.3 0.9 1.1 0.9 0.9 1.0 1.1 1.1 1.1 4.8 3.2 7.2 7.4 6.8 6.7 6.4 6.8 6.8 6.4 7.2 6.7 8.8 8.2 1.0 1.0
[1] 4wlb.a 1.1 0.8 0.7 0.9
0
1.0 1.0 1.1 1.0 1.1 1.1 0.9 1.1 1.0 0.9 1.0 1.0 1.0 1.0 4.7 3.3 7.2 7.4 6.7 6.7 6.4 6.9 6.9 6.5 7.2 6.8 8.5 8.1 0.9 1.1
[1] 4wpf.d 1.2 1.1 1.0 1.1 1.0
0
1.2 1.0 0.9 1.1 1.1 1.1 1.2 1.1 1.1 1.1 0.9 0.8 0.7 5.0 3.5 7.6 7.8 7.1 7.1 6.8 7.2 7.1 6.7 7.5 7.0 9.2 8.2 1.7 1.0
[1] 5aph.a 1.1 1.1 1.2 1.3 1.0 1.2
0
1.1 1.1 0.7 0.9 1.2 1.6 1.3 1.3 1.3 1.0 1.0 0.9 4.8 3.4 7.3 7.5 6.9 6.8 6.5 6.9 6.9 6.5 7.2 6.8 8.7 8.1 1.3 1.1
[1] 5ejv.a 1.1 1.2 1.0 1.2 1.1 1.0 1.1
0
0.8 0.9 1.2 1.0 1.4 1.1 0.9 1.1 1.1 1.0 0.9 4.7 3.2 7.3 7.5 6.9 6.8 6.5 6.8 6.8 6.4 7.1 6.7 8.3 7.9 0.9 1.0
[1] 5ejv.b 1.1 1.1 0.8 1.1 1.0 0.9 1.1 0.8
0
0.9 1.1 0.9 1.1 1.0 0.9 0.9 0.8 0.8 0.8 4.9 3.5 7.5 7.7 7.0 6.9 6.6 7.0 7.0 6.6 7.3 6.9 8.7 8.2 0.6 0.9
[1] 5g42.a 1.1 1.2 1.1 1.3 1.1 1.1 0.7 0.9 0.9
0
1.0 1.1 1.5 1.3 1.2 1.2 1.0 0.9 0.7 4.8 3.4 7.3 7.5 6.9 6.8 6.5 6.9 6.9 6.5 7.2 6.8 8.7 8.1 1.2 1.0
[1] 5g45.a 1.0 1.1 1.2 1.3 1.1 1.1 0.9 1.2 1.1 1.0
0
1.2 1.4 1.3 1.3 1.3 0.9 0.7 1.0 4.9 3.4 7.5 7.7 7.0 7.0 6.7 7.1 7.0 6.6 7.4 6.9 8.7 8.2 1.0 1.1
[1] 5iz0.a 1.1 1.1 0.8 0.9 0.9 1.1 1.2 1.0 0.9 1.1 1.2
0
1.1 1.1 1.0 1.1 1.1 1.0 1.0 4.7 3.3 7.2 7.4 6.7 6.7 6.4 6.9 6.9 6.4 7.2 6.7 8.8 8.1 0.8 1.0
[1] 5iz0.g 1.6 1.1 1.2 1.1 1.1 1.2 1.6 1.4 1.1 1.5 1.4 1.1
0
1.1 1.3 1.1 1.1 1.1 1.3 5.1 3.6 7.7 7.8 7.2 7.1 6.8 7.3 7.2 6.8 7.6 7.1 9.0 8.3 1.2 1.2
[1] 5nti.a 1.2 1.1 0.8 0.9 1.0 1.1 1.3 1.1 1.0 1.3 1.3 1.1 1.1
0
0.7 0.7 1.1 1.0 1.0 4.8 3.2 7.4 7.5 6.9 6.8 6.5 7.0 6.9 6.5 7.3 6.8 8.9 8.1 1.0 1.0
[1] 5ntw.a 1.1 1.1 0.7 0.9 0.9 1.1 1.3 0.9 0.9 1.2 1.3 1.0 1.3 0.7
0
0.7 1.2 1.1 1.0 4.7 3.2 7.2 7.3 6.7 6.7 6.4 6.9 6.8 6.4 7.2 6.8 8.8 8.0 0.9 1.0
[1] 5ntw.b 1.2 1.1 0.8 1.0 1.0 1.1 1.3 1.1 0.9 1.2 1.3 1.1 1.1 0.7 0.7
0
1.2 1.1 1.0 4.9 3.5 7.4 7.6 7.0 6.9 6.6 7.0 7.0 6.6 7.3 6.9 8.8 8.1 1.1 1.1
[1] 5x8u.a 1.2 1.0 1.0 1.1 1.0 0.9 1.0 1.1 0.8 1.0 0.9 1.1 1.1 1.1 1.2 1.2
0
0.1 0.8 5.0 3.5 7.6 7.8 7.1 7.0 6.8 7.2 7.1 6.7 7.5 7.0 8.4 8.2 0.8 1.0
[1] 5x8w.a 1.1 1.0 0.9 1.1 1.0 0.8 1.0 1.0 0.8 0.9 0.7 1.0 1.1 1.0 1.1 1.1 0.1
0
0.7 5.0 3.5 7.6 7.8 7.2 7.1 6.8 7.2 7.2 6.7 7.5 7.0 8.5 8.2 0.7 0.9
[1] 5yp6.a 1.1 1.1 0.8 1.1 1.0 0.7 0.9 0.9 0.8 0.7 1.0 1.0 1.3 1.0 1.0 1.0 0.8 0.7
0
4.9 3.4 7.4 7.6 7.0 6.9 6.6 7.1 7.0 6.7 7.4 7.0 8.4 8.2 0.7 0.8
[2] 4zjw.b 4.6 4.8 4.8 4.8 4.7 5.0 4.8 4.7 4.9 4.8 4.9 4.7 5.1 4.8 4.7 4.9 5.0 5.0 4.9
0
3.8 4.1 4.0 3.8 3.8 3.8 3.5 3.6 3.8 3.4 3.8 3.1 4.1 4.8 4.9
[2] 5m96.a 3.2 3.2 3.3 3.2 3.3 3.5 3.4 3.2 3.5 3.4 3.4 3.3 3.6 3.2 3.2 3.5 3.5 3.5 3.4 3.8
0
5.6 5.6 5.1 5.1 5.0 1.4 1.5 1.3 1.6 1.2 1.9 3.3 3.3 3.3
[2] 5x8q.a 7.1 7.2 7.3 7.2 7.2 7.6 7.3 7.3 7.5 7.3 7.5 7.2 7.7 7.4 7.2 7.4 7.6 7.6 7.4 4.1 5.6
0
0.7 1.2 1.2 1.5 5.3 5.6 5.7 5.3 5.7 4.3 8.3 7.4 7.3
[2] 5x8q.g 7.2 7.4 7.5 7.4 7.4 7.8 7.5 7.5 7.7 7.5 7.7 7.4 7.8 7.5 7.3 7.6 7.8 7.8 7.6 4.0 5.6 0.7
0
1.2 1.1 1.5 5.4 5.8 5.8 5.5 5.8 4.3 8.7 7.5 7.5
[2] 5x8x.a 6.6 6.8 6.8 6.8 6.7 7.1 6.9 6.9 7.0 6.9 7.0 6.7 7.2 6.9 6.7 7.0 7.1 7.2 7.0 3.8 5.1 1.2 1.2
0
0.4 0.8 5.0 5.3 5.4 5.2 5.4 4.0 8.4 6.9 6.8
[2] 5x8x.c 6.5 6.7 6.8 6.7 6.7 7.1 6.8 6.8 6.9 6.8 7.0 6.7 7.1 6.8 6.7 6.9 7.0 7.1 6.9 3.8 5.1 1.2 1.1 0.4
0
0.8 4.9 5.2 5.2 5.0 5.3 4.0 8.1 6.8 6.8
[2] 5x8x.e 6.2 6.4 6.5 6.4 6.4 6.8 6.5 6.5 6.6 6.5 6.7 6.4 6.8 6.5 6.4 6.6 6.8 6.8 6.6 3.8 5.0 1.5 1.5 0.8 0.8
0
4.9 5.2 5.2 5.0 5.2 3.9 8.2 6.5 6.5
[3] 4ypq.a 6.7 6.9 6.9 6.8 6.9 7.2 6.9 6.8 7.0 6.9 7.1 6.9 7.3 7.0 6.9 7.0 7.2 7.2 7.1 3.5 1.4 5.3 5.4 5.0 4.9 4.9
0
1.1 1.5 1.2 1.0 6.8 5.7 7.0 6.9
[3] 5c4s.a 6.7 6.9 6.9 6.8 6.9 7.1 6.9 6.8 7.0 6.9 7.0 6.9 7.2 6.9 6.8 7.0 7.1 7.2 7.0 3.6 1.5 5.6 5.8 5.3 5.2 5.2 1.1
0
1.5 0.9 1.2 6.8 5.6 7.0 6.9
[3] 5c4t.a 6.3 6.5 6.5 6.4 6.5 6.7 6.5 6.4 6.6 6.5 6.6 6.4 6.8 6.5 6.4 6.6 6.7 6.7 6.7 3.8 1.3 5.7 5.8 5.4 5.2 5.2 1.5 1.5
0
1.8 1.4 6.9 5.6 6.5 6.5
[3] 5c4u.a 7.0 7.2 7.2 7.2 7.2 7.5 7.2 7.1 7.3 7.2 7.4 7.2 7.6 7.3 7.2 7.3 7.5 7.5 7.4 3.4 1.6 5.3 5.5 5.2 5.0 5.0 1.2 0.9 1.8
0
1.4 6.7 5.6 7.3 7.2
[3] 5lwp.a 6.6 6.8 6.8 6.7 6.8 7.0 6.8 6.7 6.9 6.8 6.9 6.7 7.1 6.8 6.8 6.9 7.0 7.0 7.0 3.8 1.2 5.7 5.8 5.4 5.3 5.2 1.0 1.2 1.4 1.4
0
6.5 5.7 6.8 6.8
[4] 4qm0.c 8.3 8.4 8.8 8.8 8.5 9.2 8.7 8.3 8.7 8.7 8.7 8.8 9.0 8.9 8.8 8.8 8.4 8.5 8.4 3.1 1.9 4.3 4.3 4.0 4.0 3.9 6.8 6.8 6.9 6.7 6.5
0
4.8 8.8 9.2
[5] 5ntq.a 8.0 8.2 8.2 8.2 8.1 8.2 8.1 7.9 8.2 8.1 8.2 8.1 8.3 8.1 8.0 8.1 8.2 8.2 8.2 4.1 3.3 8.3 8.7 8.4 8.1 8.2 5.7 5.6 5.6 5.6 5.7 4.8
0
8.2 8.1
[6] 4ymq.a 1.1 1.1 0.8 1.0 0.9 1.7 1.3 0.9 0.6 1.2 1.0 0.8 1.2 1.0 0.9 1.1 0.8 0.7 0.7 4.8 3.3 7.4 7.5 6.9 6.8 6.5 7.0 7.0 6.5 7.3 6.8 8.8 8.2
0
3.3
[7] 5vb3.a 1.2 1.1 1.0 1.0 1.1 1.0 1.1 1.0 0.9 1.0 1.1 1.0 1.2 1.0 1.0 1.1 1.0 0.9 0.8 4.9 3.3 7.3 7.5 6.8 6.8 6.5 6.9 6.9 6.5 7.2 6.8 9.2 8.1 3.3
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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