If you see this message after the page is completely loaded, then JavaScript is not supported or disabled in your browser. Please consider enabling JavaScript for this site.

BLO10_PSEAI_20_266

Beta-lactamase OXA-10 [Class-D beta-lactamase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (BLO10_PSEAI):R: Substrate binding (205:207)
66, 67, 69, 70, 73, 98, 99, 101, 102, 111, 114:117, 120, 121, 154:156, 208:210, 212:214, 244, 245, 247, 248, 250
66, 67, 69, 70, 73, 98, 99, 101, 102, 111, 114:117, 120, 121, 154:156, 205:210, 212:214, 244, 245, 247, 248, 250

Full PDB list

1e3u, 1e4d, 1ewz, 1fof, 1h5x, 1h8y, 1h8z, 1k4e, 1k4f, 1k54, 1k55, 1k56, 1k57, 1k6r, 1k6s, 2hp5, 2hp6, 2hp9, 2hpb, 2rl3, 2wgi, 2wgv, 2wgw, 2wkh, 2wki, 2x01, 2x02, 3lce, 3qnb, 3qnc, 4s2o, 4wz5, 4yin, 5fq9, 5mmy, 5mnu, 5mox, 5moz (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
A
6
6
S
6
7
F
6
9
K
7
0
N
7
3
M
9
9
W
1
0
2
S
1
1
5
A
1
1
6
V
1
1
7
F
1
2
0
W
1
5
4
L
1
5
5
K
2
0
5
T
2
0
6
G
2
0
7
F
2
0
8
S
2
0
9
G
2
1
0
E
2
4
4
L
2
4
7
R
2
5
0
[1]1e3u.b au,auc5 . . . . . . . . . . . . . . . . . . . . . .
[1]1e3u.c au,au,auc,auc10 . . . . . . . . . . . . . . . . . . . . . .
[1]1h5x.a im220 . * . . S - . . . . . . . . . . . . . . . .
[1]1h8y.a mer26 . * . . S . . . . . . . . . . . . . . . . .
[1]1h8z.b none . . . . S - . . . . . . . . . . . . . . . .
[1]1k4e.b none . . . * . * . . . . . . . . . . . . . . . .
[1]1k54.a hoq17 . * . * . . . . . . . . . . . . . . . . . .
[1]1k55.b none . . . * . . . . . . . . . . . . . . . . . .
[1]1k6r.a mx129 . * . . . . . . . . . . . . . . . . . . . .
[1]1k6s.a ca,iap13 . * . * . * . . . . . . . . . . . . . . . .
[1]1k6s.b iap12 . * . * . * . . . . . . . . . . . . . . . .
[1]2hp5.a none . . . . . . . . . . . G . . . . . . . . . .
[1]2hpb.a none . . . . . . . . . . . A . . . . . . . . . .
[1]2rl3.a none . . . * . . . . . . . H . . . . . . . . . .
[1]2rl3.b none . . . . . . . . . . . H . . . . . . . . . .
[1]2wgi.b pnm23 . * . . . . . . . . . A . . . . . . . . . .
[1]2wgv.b none . . . . . . . . . T . . . . . . . . . . . .
[1]2wgw.a none . . . * . . . . . T . . . . . . . . . . . .
[1]2wkh.a zz724 . * . C . . . . . . . . . . . . . . . . . .
[1]2wki.b none . . . C . . . . . . . . . . . . . . . . . .
[1]2x01.b none . A . * . . . . . . . . . . . . . . . . . .
[1]3lce.a lce15 . . . * . . . . . . . . . . . . . . . . . .
[1]3qnb.c none . . . * . . . . . . . . . . . . W - - . . .
[1]3qnc.a none . . . * . . . . . . . . . . . . Y . - . . .
[1]4wz5.a 3vu23 . * . * . . . . . . . . . . . . . . . . . .
[1]4wz5.d none . . . . . . . . . . . . . . . . . . . . . .
[1]4yin.b none . . . . . . . . . . . . - . . . . . . . . .
[1]5fq9.b c6s23 . . . * . . . . . . . . . . . . . . . . . .
[1]5mox.b na,nxl18 . * . . . . . . . . . . . . . . . . . . . .
[1]5moz.a nxl17 . * . . . . . . . . . . . . . . . . . . . .

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
A
6
6
S
6
7
F
6
9
K
7
0
N
7
3
A
9
8
M
9
9
Q
1
0
1
W
1
0
2
A
1
1
1
V
1
1
4
S
1
1
5
A
1
1
6
V
1
1
7
F
1
2
0
Q
1
2
1
W
1
5
4
L
1
5
5
E
1
5
6
K
2
0
5
T
2
0
6
G
2
0
7
F
2
0
8
S
2
0
9
G
2
1
0
G
2
1
2
T
2
1
3
E
2
1
4
E
2
4
4
S
2
4
5
L
2
4
7
P
2
4
8
R
2
5
0
[1]1e3u.b . . . . . . * . . . . . . * . . . * . . . . . . . . . . . . . . *
[1]1e3u.c . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . *
[1]1h5x.a . * . . S - - . . . . * . . . . . . . . . . . . . . . . . N . . .
[1]1h8y.a . * . . S . * . . . . . . . . . . . . . . . . . . . . . . N . . .
[1]1h8z.b . . . . S - - - . . . . . . . . . . . . . . . . . . . . . N . . *
[1]1k4e.b . * . kcx . . * . . . . . . * . . . . . . . . . . . . . . . . . . *
[1]1k54.a . * . kcx . . . . . . . . . * . . . . . . . . . . . . . . . . . . *
[1]1k55.b . * . kcx . . . . . . . . . * . . . . . . . . . . . . . . . . . . *
[1]1k6r.a . * . * . . * . . . . * . . . . . . . . . . . . . . . . . . . . .
[1]1k6s.a . * . kcx . . * . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]1k6s.b . * . kcx . . * . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]2hp5.a . * . * . . . . . . . . . . . . G * . . . . . . . . . . . . . . .
[1]2hpb.a . . . . . . * . . . . . . . . . A . . . . . . . . . . . . . . . *
[1]2rl3.a . . . kcx . . . . . . . . . . . . H . . . . . . . . . . . . . . . *
[1]2rl3.b . . . * . . . . . . . . . . . . H . . . . . . . . . . . . . . . *
[1]2wgi.b . * . . . . . . . . . . . . . . A * . . . . . . . . . . . . . . *
[1]2wgv.b . * . . . . . . . . . . . T . . . . . . . . . . . . . . . . . . *
[1]2wgw.a . * . kcx . . . . . . . . . T . . . . . . . . . . . . . . . . . . *
[1]2wkh.a . * . C . . . . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]2wki.b . . . C . . . . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]2x01.b . A . kcx . . . . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]3lce.a . . . kcx . . . . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]3qnb.c . . . kcx . . . . . . . . . . . . . . . . . . W - - . M G . . . . *
[1]3qnc.a . * . kcx . . . . . . . . . . . . . . . . . . Y . - - . R . . . . *
[1]4wz5.a . * . kcx . . . . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]4wz5.d . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . *
[1]4yin.b . . . * . . . . . . . . . . . . . - . . . . . . . . . . . N . . *
[1]5fq9.b . * . kcx . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5mox.b . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . *
[1]5moz.a . * . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . *

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
1e3u.b:au,auc
1e3u.c:au,auc
1h5x.a:im2
1h8y.a:mer
1h8z.b is apo
1k4e.b is apo
1k54.a:hoq
1k55.b is apo
1k6r.a:mx1
1k6s.a:ca,iap
1k6s.b:iap
2hp5.a is apo
2hpb.a is apo
2rl3.a is apo
2rl3.b is apo
2wgi.b:pnm
2wgv.b is apo
2wgw.a is apo
2wkh.a:zz7
2wki.b is apo
2x01.b is apo
3lce.a:lce
3qnb.c is apo
3qnc.a is apo
4wz5.a:3vu
4wz5.d is apo
4yin.b is apo
5fq9.b:c6s
5mox.b:na,nxl
5moz.a:nxl
[1] 1e3u.b
0
2.7 1.2 1.5 - - 1.0 - 3.2 0.8 0.7 - - - - 0.3 - - 0.5 - - 0.7 - - 1.1 - - 1.0 0.5 0.6
[1] 1e3u.c 0
0
1.7 2.1 - - 1.3 - 3.7 1.1 0.8 - - - - 1.0 - - 0.8 - - 1.0 - - 1.2 - - 1.3 1.1 1.0
[1] 1h5x.a 0.6 1.6
0.9
0.8 - - 1.7 - 1.9 0.9 0.7 - - - - 0.9 - - 1.0 - - 1.3 - - 0.9 - - 0.7 0.9 0.9
[1] 1h8y.a 0.6 2.9 0.7
0.7
- - 1.1 - 1.0 1.0 1.2 - - - - 0.7 - - 0.7 - - 1.1 - - 0.6 - - 0.7 0.8 0.7
[1] 1h8z.b 0.8 1.3 1.0 1.2
-
- 1.2 - 1.7 0.6 0.3 - - - - 0.6 - - 0.8 - - 0.8 - - 0.3 - - 1.0 0.6 1.0
[1] 1k4e.b 1.8 4.1 1.3 1.6 -
-
0.8 - 2.2 0.6 0.4 - - - - 0.4 - - 0.6 - - 1.0 - - 0.4 - - 1.1 2.7 0.8
[1] 1k54.a 2.0 4.0 1.6 1.8 - -
0.7
- 2.8 0.7 0.4 - - - - 0.8 - - 0.8 - - 1.4 - - 0.7 - - 1.4 3.1 1.1
[1] 1k55.b 1.9 4.6 1.3 1.9 - - 0.8
-
2.4 0.5 0.4 - - - - 0.4 - - 0.6 - - 1.0 - - 0.7 - - 1.3 2.7 0.8
[1] 1k6r.a 1.6 3.9 0.6 0.6 - - 1.1 -
0.6
1.0 1.2 - - - - 0.8 - - 0.7 - - 1.0 - - 1.2 - - 0.6 1.7 1.0
[1] 1k6s.a 1.7 3.9 1.9 1.5 - - 1.1 - 2.5
1.1
0.7 - - - - 0.8 - - 1.1 - - 1.3 - - 0.5 - - 1.1 2.6 1.2
[1] 1k6s.b 1.9 4.9 1.5 2.2 - - 1.3 - 2.2 1.3
1.1
- - - - 0.8 - - 1.1 - - 1.4 - - 0.5 - - 1.4 3.2 1.4
[1] 2hp5.a 0.7 3.8 1.6 2.1 - - 1.4 - 2.8 0.9 0.9
-
- - - 0.8 - - 1.0 - - 1.7 - - 0.9 - - 1.1 1.9 1.3
[1] 2hpb.a 0 2.7 1.7 1.8 - - 1.2 - 2.4 1.0 0.9 -
-
- - 0.4 - - 0.8 - - 1.1 - - 0.9 - - 1.2 0.8 0.7
[1] 2rl3.a 2.4 5.5 1.6 2.0 - - 1.1 - 2.4 0.7 0.4 - -
-
- 0.4 - - 0.4 - - 1.1 - - 0.3 - - 1.4 2.6 1.0
[1] 2rl3.b 0.9 3.2 1.3 1.8 - - 1.0 - 2.4 0.5 0.3 - - -
-
0.5 - - 0.4 - - 1.1 - - 0.3 - - 1.1 1.6 0.8
[1] 2wgi.b 0.3 2.1 1.4 2.2 - - 1.5 - 3.8 0.7 0.5 - - - -
0.6
- - 1.0 - - 1.5 - - 1.4 - - 1.4 1.3 1.1
[1] 2wgv.b 0.3 2.7 1.3 1.3 - - 0.8 - 2.2 0.5 0.4 - - - - 0.5
-
- 0.6 - - 1.0 - - 0.4 - - 1.0 0.5 0.7
[1] 2wgw.a 1.7 4.5 2.0 1.8 - - 0.7 - 2.6 0.7 0.5 - - - - 0.5 -
-
0.8 - - 1.1 - - 0.5 - - 1.3 2.7 0.9
[1] 2wkh.a 0.7 3.3 1.2 1.9 - - 0.8 - 2.1 0.6 0.6 - - - - 0.4 - -
0.8
- - 1.1 - - 0.5 - - 1.1 0.6 0.7
[1] 2wki.b 0.7 3.1 1.8 1.7 - - 0.7 - 2.1 0.7 0.4 - - - - 0.2 - - 0.4
-
- 0.9 - - 0.3 - - 1.2 0.7 0.8
[1] 2x01.b 1.6 4.1 1.0 1.5 - - 0.5 - 2.0 0.2 0.1 - - - - 0.2 - - 0.1 -
-
0.7 - - 0.1 - - 1.0 1.9 0.3
[1] 3lce.a 1.9 4.4 1.3 1.7 - - 0.7 - 2.2 0.4 0.4 - - - - 0.3 - - 0.4 - -
1.0
- - 0.2 - - 1.1 3.0 0.9
[1] 3qnb.c 1.9 4.1 1.2 1.3 - - 1.7 - 4.0 0.6 0.4 - - - - 2.6 - - 2.2 - - 1.2
-
- 0.5 - - 3.3 3.3 0.9
[1] 3qnc.a 2.0 4.3 0.9 1.2 - - 0.6 - 1.3 0.6 0.4 - - - - 0.5 - - 0.8 - - 0.9 -
-
2.4 - - 1.2 2.6 0.6
[1] 4wz5.a 2.1 4.0 1.6 2.0 - - 1.0 - 2.3 0.6 0.6 - - - - 0.7 - - 0.8 - - 1.4 - -
0.4
- - 1.4 2.8 1.4
[1] 4wz5.d 0.8 2.8 1.7 2.1 - - 1.0 - 2.7 0.6 0.5 - - - - 0.7 - - 0.6 - - 1.2 - - 0.6
-
- 1.6 1.1 1.3
[1] 4yin.b 0.3 2.1 1.0 0.9 - - 0.2 - 1.5 0.2 0.2 - - - - 0.2 - - 0.4 - - 0.8 - - 0.2 -
-
0.8 0.9 0.5
[1] 5fq9.b 1.7 4.1 0.6 0.9 - - 1.2 - 1.8 0.7 0.6 - - - - 0.5 - - 0.9 - - 1.0 - - 0.4 - -
0.5
2.4 0.6
[1] 5mox.b 0.2 1.3 1.4 1.5 - - 1.1 - 3.8 1.1 0.7 - - - - 0.7 - - 1.0 - - 1.1 - - 1.2 - - 1.3
0.8
0.9
[1] 5moz.a 0.3 2.3 1.5 1.4 - - 0.7 - 2.2 1.3 1.0 - - - - 0.5 - - 0.9 - - 1.4 - - 0.5 - - 1.2 0.6
0.9
[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
1e3u.b
1e3u.c
1h5x.a
1h8y.a
1h8z.b
1k4e.b
1k54.a
1k55.b
1k6r.a
1k6s.a
1k6s.b
2hp5.a
2hpb.a
2rl3.a
2rl3.b
2wgi.b
2wgv.b
2wgw.a
2wkh.a
2wki.b
2x01.b
3lce.a
3qnb.c
3qnc.a
4wz5.a
4wz5.d
4yin.b
5fq9.b
5mox.b
5moz.a
[1] 1e3u.b
0
.15 .17 .14 .16 .14 .16 .14 .17 .14 .13 .09 .08 .15 .12 .08 .10 .17 .12 .13 .13 .14 .22 .23 .15 .10 .14 .16 .09 .11
[1] 1e3u.c .15
0
.12 .17 .08 .18 .19 .21 .20 .18 .21 .13 .17 .23 .15 .09 .13 .21 .13 .15 .18 .19 .25 .28 .18 .12 .14 .19 .08 .14
[1] 1h5x.a .17 .12
0
.06 .07 .14 .15 .17 .10 .15 .16 .11 .15 .19 .10 .11 .10 .17 .08 .10 .14 .15 .20 .20 .14 .09 .11 .11 .11 .12
[1] 1h8y.a .14 .17 .06
0
.11 .14 .15 .17 .07 .12 .13 .12 .12 .17 .09 .13 .12 .18 .11 .11 .15 .15 .20 .19 .14 .10 .10 .09 .10 .10
[1] 1h8z.b .16 .08 .07 .11
0
.13 .14 .16 .16 .14 .15 .12 .14 .17 .10 .11 .10 .17 .10 .08 .13 .14 .21 .23 .12 .09 .08 .16 .09 .12
[1] 1k4e.b .14 .18 .14 .14 .13
0
.05 .04 .15 .06 .05 .12 .13 .08 .11 .12 .08 .06 .09 .11 .05 .04 .11 .12 .04 .08 .14 .08 .14 .12
[1] 1k54.a .16 .19 .15 .15 .14 .05
0
.05 .16 .07 .06 .14 .14 .10 .11 .11 .12 .08 .10 .12 .07 .05 .14 .12 .04 .08 .12 .10 .15 .12
[1] 1k55.b .14 .21 .17 .17 .16 .04 .05
0
.19 .09 .07 .14 .14 .10 .12 .13 .09 .07 .11 .13 .07 .02 .14 .14 .06 .09 .16 .09 .18 .15
[1] 1k6r.a .17 .20 .10 .07 .16 .15 .16 .19
0
.13 .15 .14 .18 .18 .12 .15 .17 .19 .15 .17 .16 .18 .22 .21 .15 .14 .16 .11 .13 .15
[1] 1k6s.a .14 .18 .15 .12 .14 .06 .07 .09 .13
0
.06 .14 .11 .10 .12 .12 .11 .07 .12 .13 .07 .08 .14 .15 .05 .09 .15 .08 .12 .06
[1] 1k6s.b .13 .21 .16 .13 .15 .05 .06 .07 .15 .06
0
.12 .11 .06 .12 .14 .13 .08 .10 .12 .08 .06 .15 .13 .05 .10 .16 .09 .15 .12
[1] 2hp5.a .09 .13 .11 .12 .12 .12 .14 .14 .14 .14 .12
0
.11 .13 .10 .07 .09 .16 .08 .10 .15 .13 .20 .18 .12 .08 .12 .13 .12 .12
[1] 2hpb.a .08 .17 .15 .12 .14 .13 .14 .14 .18 .11 .11 .11
0
.10 .08 .11 .08 .13 .09 .09 .13 .13 .22 .21 .13 .10 .12 .17 .13 .06
[1] 2rl3.a .15 .23 .19 .17 .17 .08 .10 .10 .18 .10 .06 .13 .10
0
.09 .15 .14 .09 .13 .12 .10 .09 .17 .17 .08 .13 .14 .13 .17 .14
[1] 2rl3.b .12 .15 .10 .09 .10 .11 .11 .12 .12 .12 .12 .10 .08 .09
0
.09 .10 .13 .08 .07 .10 .11 .18 .20 .10 .07 .07 .13 .11 .11
[1] 2wgi.b .08 .09 .11 .13 .11 .12 .11 .13 .15 .12 .14 .07 .11 .15 .09
0
.08 .13 .09 .11 .11 .12 .20 .21 .10 .05 .12 .13 .07 .09
[1] 2wgv.b .10 .13 .10 .12 .10 .08 .12 .09 .17 .11 .13 .09 .08 .14 .10 .08
0
.11 .07 .09 .09 .09 .18 .18 .10 .06 .09 .13 .10 .06
[1] 2wgw.a .17 .21 .17 .18 .17 .06 .08 .07 .19 .07 .08 .16 .13 .09 .13 .13 .11
0
.12 .14 .08 .08 .15 .15 .06 .11 .18 .12 .16 .12
[1] 2wkh.a .12 .13 .08 .11 .10 .09 .10 .11 .15 .12 .10 .08 .09 .13 .08 .09 .07 .12
0
.04 .11 .11 .19 .17 .10 .05 .12 .13 .13 .09
[1] 2wki.b .13 .15 .10 .11 .08 .11 .12 .13 .17 .13 .12 .10 .09 .12 .07 .11 .09 .14 .04
0
.10 .11 .19 .20 .10 .07 .09 .15 .14 .11
[1] 2x01.b .13 .18 .14 .15 .13 .05 .07 .07 .16 .07 .08 .15 .13 .10 .10 .11 .09 .08 .11 .10
0
.05 .12 .15 .05 .08 .13 .10 .14 .12
[1] 3lce.a .14 .19 .15 .15 .14 .04 .05 .02 .18 .08 .06 .13 .13 .09 .11 .12 .09 .08 .11 .11 .05
0
.12 .13 .04 .07 .15 .08 .16 .13
[1] 3qnb.c .22 .25 .20 .20 .21 .11 .14 .14 .22 .14 .15 .20 .22 .17 .18 .20 .18 .15 .19 .19 .12 .12
0
.17 .12 .17 .22 .13 .22 .20
[1] 3qnc.a .23 .28 .20 .19 .23 .12 .12 .14 .21 .15 .13 .18 .21 .17 .20 .21 .18 .15 .17 .20 .15 .13 .17
0
.13 .17 .21 .14 .23 .20
[1] 4wz5.a .15 .18 .14 .14 .12 .04 .04 .06 .15 .05 .05 .12 .13 .08 .10 .10 .10 .06 .10 .10 .05 .04 .12 .13
0
.07 .13 .08 .13 .10
[1] 4wz5.d .10 .12 .09 .10 .09 .08 .08 .09 .14 .09 .10 .08 .10 .13 .07 .05 .06 .11 .05 .07 .08 .07 .17 .17 .07
0
.11 .09 .09 .08
[1] 4yin.b .14 .14 .11 .10 .08 .14 .12 .16 .16 .15 .16 .12 .12 .14 .07 .12 .09 .18 .12 .09 .13 .15 .22 .21 .13 .11
0
.17 .10 .12
[1] 5fq9.b .16 .19 .11 .09 .16 .08 .10 .09 .11 .08 .09 .13 .17 .13 .13 .13 .13 .12 .13 .15 .10 .08 .13 .14 .08 .09 .17
0
.14 .14
[1] 5mox.b .09 .08 .11 .10 .09 .14 .15 .18 .13 .12 .15 .12 .13 .17 .11 .07 .10 .16 .13 .14 .14 .16 .22 .23 .13 .09 .10 .14
0
.08
[1] 5moz.a .11 .14 .12 .10 .12 .12 .12 .15 .15 .06 .12 .12 .06 .14 .11 .09 .06 .12 .09 .11 .12 .13 .20 .20 .10 .08 .12 .14 .08
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.4 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
1e3u.b
1e3u.c
1h5x.a
1h8y.a
1h8z.b
1k4e.b
1k54.a
1k55.b
1k6r.a
1k6s.a
1k6s.b
2hp5.a
2hpb.a
2rl3.a
2rl3.b
2wgi.b
2wgv.b
2wgw.a
2wkh.a
2wki.b
2x01.b
3lce.a
3qnb.c
3qnc.a
4wz5.a
4wz5.d
4yin.b
5fq9.b
5mox.b
5moz.a
[1] 1e3u.b
0
1.4 2.6 0.5 2.0 0.9 0.3 0.2 1.2 0.9 0.8 1.2 1.0 0.4 0.5 0.6 0.9 0.4 0.4 0.4 1.0 0.2 3.4 2.7 0.5 0.8 0.9 0.5 0.9 1.0
[1] 1e3u.c 1.4
0
2.5 1.4 1.9 1.7 1.4 1.4 1.9 1.8 1.7 1.7 1.8 1.4 1.4 1.6 1.8 1.4 1.4 1.4 1.9 1.5 3.7 3.1 1.5 1.4 1.3 1.6 1.8 1.9
[1] 1h5x.a 2.6 2.5
0
2.6 0.8 2.6 2.5 2.6 2.6 2.6 2.6 2.7 2.6 2.7 2.6 2.6 2.6 2.6 2.6 2.6 2.6 2.6 4.2 3.7 2.6 2.8 2.6 2.6 2.6 2.6
[1] 1h8y.a 0.5 1.4 2.6
0
1.9 1.0 0.5 0.6 1.1 1.1 0.9 1.3 1.1 0.4 0.4 0.8 1.2 0.4 0.3 0.4 1.2 0.6 3.5 2.8 0.6 1.0 0.6 0.8 1.1 1.2
[1] 1h8z.b 2.0 1.9 0.8 1.9
0
2.1 1.9 2.0 2.2 2.1 2.0 2.2 2.2 2.0 2.0 2.0 2.1 2.0 2.0 1.9 2.2 2.0 4.1 3.5 2.0 2.0 2.0 2.0 2.0 2.2
[1] 1k4e.b 0.9 1.7 2.6 1.0 2.1
0
0.8 0.9 0.5 0.3 0.4 0.9 0.4 0.9 0.9 0.8 0.5 0.9 0.9 0.9 0.5 0.8 3.1 2.4 0.6 1.3 1.1 0.6 0.5 0.4
[1] 1k54.a 0.3 1.4 2.5 0.5 1.9 0.8
0
0.3 1.0 0.8 0.7 1.1 0.9 0.4 0.4 0.5 0.9 0.3 0.4 0.4 0.9 0.3 3.3 2.7 0.3 0.8 0.8 0.5 0.8 0.9
[1] 1k55.b 0.2 1.4 2.6 0.6 2.0 0.9 0.3
0
1.1 0.9 0.7 1.2 1.0 0.4 0.5 0.5 0.9 0.4 0.4 0.4 1.0 0.2 3.3 2.7 0.4 0.8 0.9 0.5 0.9 1.0
[1] 1k6r.a 1.2 1.9 2.6 1.1 2.2 0.5 1.0 1.1
0
0.5 0.6 1.0 0.5 1.1 1.1 1.0 0.8 1.1 1.1 1.1 0.7 1.1 3.1 2.5 0.9 1.7 1.2 0.9 0.7 0.6
[1] 1k6s.a 0.9 1.8 2.6 1.1 2.1 0.3 0.8 0.9 0.5
0
0.3 0.9 0.3 1.0 1.0 0.8 0.5 1.0 1.0 1.0 0.4 0.8 3.0 2.5 0.7 1.4 1.3 0.6 0.4 0.3
[1] 1k6s.b 0.8 1.7 2.6 0.9 2.0 0.4 0.7 0.7 0.6 0.3
0
0.9 0.4 0.8 0.8 0.7 0.5 0.8 0.8 0.8 0.5 0.7 3.2 2.6 0.6 1.3 1.1 0.5 0.4 0.5
[1] 2hp5.a 1.2 1.7 2.7 1.3 2.2 0.9 1.1 1.2 1.0 0.9 0.9
0
0.8 1.2 1.2 1.1 0.9 1.3 1.2 1.2 0.9 1.2 3.4 2.6 1.0 1.4 1.4 1.0 0.9 0.9
[1] 2hpb.a 1.0 1.8 2.6 1.1 2.2 0.4 0.9 1.0 0.5 0.3 0.4 0.8
0
1.0 1.0 0.9 0.6 1.1 1.0 1.0 0.5 0.9 3.1 2.5 0.8 1.5 1.3 0.8 0.5 0.5
[1] 2rl3.a 0.4 1.4 2.7 0.4 2.0 0.9 0.4 0.4 1.1 1.0 0.8 1.2 1.0
0
0.3 0.7 1.1 0.2 0.2 0.3 1.1 0.5 3.4 2.8 0.5 0.9 0.8 0.7 1.0 1.1
[1] 2rl3.b 0.5 1.4 2.6 0.4 2.0 0.9 0.4 0.5 1.1 1.0 0.8 1.2 1.0 0.3
0
0.7 1.1 0.4 0.4 0.3 1.1 0.5 3.3 2.7 0.6 1.0 0.7 0.7 1.0 1.1
[1] 2wgi.b 0.6 1.6 2.6 0.8 2.0 0.8 0.5 0.5 1.0 0.8 0.7 1.1 0.9 0.7 0.7
0
0.8 0.7 0.7 0.7 0.8 0.5 3.4 2.8 0.4 1.0 1.0 0.4 0.7 0.8
[1] 2wgv.b 0.9 1.8 2.6 1.2 2.1 0.5 0.9 0.9 0.8 0.5 0.5 0.9 0.6 1.1 1.1 0.8
0
1.1 1.1 1.1 0.4 0.9 3.3 2.6 0.7 1.3 1.4 0.6 0.4 0.4
[1] 2wgw.a 0.4 1.4 2.6 0.4 2.0 0.9 0.3 0.4 1.1 1.0 0.8 1.3 1.1 0.2 0.4 0.7 1.1
0
0.2 0.3 1.1 0.4 3.4 2.8 0.5 0.8 0.8 0.6 1.0 1.1
[1] 2wkh.a 0.4 1.4 2.6 0.3 2.0 0.9 0.4 0.4 1.1 1.0 0.8 1.2 1.0 0.2 0.4 0.7 1.1 0.2
0
0.3 1.1 0.5 3.4 2.8 0.5 0.9 0.7 0.7 1.0 1.1
[1] 2wki.b 0.4 1.4 2.6 0.4 1.9 0.9 0.4 0.4 1.1 1.0 0.8 1.2 1.0 0.3 0.3 0.7 1.1 0.3 0.3
0
1.1 0.4 3.4 2.7 0.5 0.9 0.7 0.7 1.0 1.1
[1] 2x01.b 1.0 1.9 2.6 1.2 2.2 0.5 0.9 1.0 0.7 0.4 0.5 0.9 0.5 1.1 1.1 0.8 0.4 1.1 1.1 1.1
0
0.9 3.1 2.5 0.8 1.4 1.4 0.7 0.4 0.4
[1] 3lce.a 0.2 1.5 2.6 0.6 2.0 0.8 0.3 0.2 1.1 0.8 0.7 1.2 0.9 0.5 0.5 0.5 0.9 0.4 0.5 0.4 0.9
0
3.3 2.7 0.4 0.8 0.9 0.4 0.8 0.9
[1] 3qnb.c 3.4 3.7 4.2 3.5 4.1 3.1 3.3 3.3 3.1 3.0 3.2 3.4 3.1 3.4 3.3 3.4 3.3 3.4 3.4 3.4 3.1 3.3
0
0.6 3.3 3.6 3.5 3.3 3.2 3.1
[1] 3qnc.a 2.7 3.1 3.7 2.8 3.5 2.4 2.7 2.7 2.5 2.5 2.6 2.6 2.5 2.8 2.7 2.8 2.6 2.8 2.8 2.7 2.5 2.7 0.6
0
2.6 3.0 2.8 2.6 2.6 2.4
[1] 4wz5.a 0.5 1.5 2.6 0.6 2.0 0.6 0.3 0.4 0.9 0.7 0.6 1.0 0.8 0.5 0.6 0.4 0.7 0.5 0.5 0.5 0.8 0.4 3.3 2.6
0
0.9 0.9 0.3 0.7 0.7
[1] 4wz5.d 0.8 1.4 2.8 1.0 2.0 1.3 0.8 0.8 1.7 1.4 1.3 1.4 1.5 0.9 1.0 1.0 1.3 0.8 0.9 0.9 1.4 0.8 3.6 3.0 0.9
0
1.2 0.9 1.3 1.4
[1] 4yin.b 0.9 1.3 2.6 0.6 2.0 1.1 0.8 0.9 1.2 1.3 1.1 1.4 1.3 0.8 0.7 1.0 1.4 0.8 0.7 0.7 1.4 0.9 3.5 2.8 0.9 1.2
0
1.1 1.2 1.3
[1] 5fq9.b 0.5 1.6 2.6 0.8 2.0 0.6 0.5 0.5 0.9 0.6 0.5 1.0 0.8 0.7 0.7 0.4 0.6 0.6 0.7 0.7 0.7 0.4 3.3 2.6 0.3 0.9 1.1
0
0.6 0.7
[1] 5mox.b 0.9 1.8 2.6 1.1 2.0 0.5 0.8 0.9 0.7 0.4 0.4 0.9 0.5 1.0 1.0 0.7 0.4 1.0 1.0 1.0 0.4 0.8 3.2 2.6 0.7 1.3 1.2 0.6
0
0.3
[1] 5moz.a 1.0 1.9 2.6 1.2 2.2 0.4 0.9 1.0 0.6 0.3 0.5 0.9 0.5 1.1 1.1 0.8 0.4 1.1 1.1 1.1 0.4 0.9 3.1 2.4 0.7 1.4 1.3 0.7 0.3
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
1e3u.b
1e3u.c
1h5x.a
1h8y.a
1h8z.b
1k4e.b
1k54.a
1k55.b
1k6r.a
1k6s.a
1k6s.b
2hp5.a
2hpb.a
2rl3.a
2rl3.b
2wgi.b
2wgv.b
2wgw.a
2wkh.a
2wki.b
2x01.b
3lce.a
3qnb.c
3qnc.a
4wz5.a
4wz5.d
4yin.b
5fq9.b
5mox.b
5moz.a
[1] 1e3u.b
0
1.7 4.4 1.1 4.1 1.6 0.7 0.7 1.7 1.4 1.3 2.1 1.6 0.9 0.9 1.1 1.6 1.0 0.9 0.9 1.6 0.8 2.7 3.2 0.9 1.1 1.1 0.8 1.0 1.5
[1] 1e3u.c 1.7
0
3.8 1.7 3.8 2.0 1.7 1.7 2.2 2.0 1.9 2.1 2.1 1.7 1.7 1.8 2.1 1.8 1.7 1.7 2.1 1.7 3.1 3.1 1.7 1.7 1.6 1.8 1.9 2.0
[1] 1h5x.a 4.4 3.8
0
4.3 1.6 4.4 4.0 4.4 4.3 4.3 4.3 4.7 4.4 4.6 4.5 4.5 4.4 4.5 4.5 4.5 4.4 4.5 5.1 5.2 4.4 4.5 4.4 4.2 4.0 4.3
[1] 1h8y.a 1.1 1.7 4.3
0
4.0 1.5 0.8 1.0 1.4 1.4 1.3 1.9 1.4 0.8 0.8 1.2 1.6 0.8 0.7 0.7 1.6 1.0 2.7 3.1 0.8 1.4 0.9 0.9 1.2 1.6
[1] 1h8z.b 4.1 3.8 1.6 4.0
0
4.3 4.0 4.1 4.3 4.3 4.2 4.6 4.4 4.2 4.1 4.3 4.3 4.1 4.1 4.1 4.3 4.1 5.0 5.1 4.1 4.1 4.0 4.1 4.1 4.3
[1] 1k4e.b 1.6 2.0 4.4 1.5 4.3
0
0.8 1.5 0.9 0.8 0.9 1.5 0.8 1.5 1.5 1.2 0.7 1.6 1.5 1.5 0.8 1.5 2.4 2.7 1.3 1.9 1.7 0.8 0.8 0.9
[1] 1k54.a 0.7 1.7 4.0 0.8 4.0 0.8
0
0.4 1.2 1.0 0.8 1.5 1.1 0.7 0.7 0.8 1.0 0.7 0.7 0.6 1.0 0.5 2.6 2.6 0.6 0.9 1.0 0.6 0.9 0.9
[1] 1k55.b 0.7 1.7 4.4 1.0 4.1 1.5 0.4
0
1.6 1.4 1.2 2.1 1.5 0.9 0.8 1.1 1.6 0.8 0.8 0.9 1.5 0.6 2.6 3.1 0.8 1.0 1.2 0.6 1.0 1.4
[1] 1k6r.a 1.7 2.2 4.3 1.4 4.3 0.9 1.2 1.6
0
0.8 0.9 1.7 0.7 1.6 1.6 1.4 1.1 1.6 1.5 1.5 0.9 1.6 2.4 2.8 1.4 2.0 1.6 1.0 1.1 1.0
[1] 1k6s.a 1.4 2.0 4.3 1.4 4.3 0.8 1.0 1.4 0.8
0
0.6 1.7 0.6 1.4 1.4 1.2 0.8 1.4 1.4 1.4 0.8 1.4 2.4 2.8 1.2 1.8 1.6 0.7 0.8 0.7
[1] 1k6s.b 1.3 1.9 4.3 1.3 4.2 0.9 0.8 1.2 0.9 0.6
0
1.7 0.8 1.3 1.3 1.1 1.0 1.3 1.3 1.3 0.9 1.2 2.5 2.9 1.1 1.7 1.6 0.7 0.8 0.8
[1] 2hp5.a 2.1 2.1 4.7 1.9 4.6 1.5 1.5 2.1 1.7 1.7 1.7
0
1.6 2.0 2.1 1.6 1.4 2.1 2.1 2.0 1.6 2.1 2.8 2.9 1.9 2.3 2.1 1.4 1.6 1.7
[1] 2hpb.a 1.6 2.1 4.4 1.4 4.4 0.8 1.1 1.5 0.7 0.6 0.8 1.6
0
1.5 1.5 1.2 0.8 1.5 1.5 1.5 0.8 1.5 2.4 2.8 1.3 1.9 1.7 0.8 0.8 0.8
[1] 2rl3.a 0.9 1.7 4.6 0.8 4.2 1.5 0.7 0.9 1.6 1.4 1.3 2.0 1.5
0
0.6 1.2 1.7 0.5 0.5 0.5 1.6 0.8 2.6 3.1 0.7 1.2 0.9 0.8 1.2 1.6
[1] 2rl3.b 0.9 1.7 4.5 0.8 4.1 1.5 0.7 0.8 1.6 1.4 1.3 2.1 1.5 0.6
0
1.1 1.7 0.7 0.6 0.6 1.6 0.8 2.6 3.1 0.8 1.3 0.9 0.8 1.2 1.6
[1] 2wgi.b 1.1 1.8 4.5 1.2 4.3 1.2 0.8 1.1 1.4 1.2 1.1 1.6 1.2 1.2 1.1
0
1.1 1.2 1.2 1.1 1.1 1.1 2.7 3.1 1.0 1.4 1.4 0.8 1.0 1.3
[1] 2wgv.b 1.6 2.1 4.4 1.6 4.3 0.7 1.0 1.6 1.1 0.8 1.0 1.4 0.8 1.7 1.7 1.1
0
1.6 1.6 1.6 0.8 1.5 2.6 2.8 1.4 1.9 1.9 0.7 0.8 0.8
[1] 2wgw.a 1.0 1.8 4.5 0.8 4.1 1.6 0.7 0.8 1.6 1.4 1.3 2.1 1.5 0.5 0.7 1.2 1.6
0
0.5 0.7 1.6 0.8 2.6 3.1 0.8 1.1 1.0 0.8 1.2 1.6
[1] 2wkh.a 0.9 1.7 4.5 0.7 4.1 1.5 0.7 0.8 1.5 1.4 1.3 2.1 1.5 0.5 0.6 1.2 1.6 0.5
0
0.5 1.5 0.7 2.6 3.1 0.6 1.1 0.9 0.8 1.2 1.6
[1] 2wki.b 0.9 1.7 4.5 0.7 4.1 1.5 0.6 0.9 1.5 1.4 1.3 2.0 1.5 0.5 0.6 1.1 1.6 0.7 0.5
0
1.5 0.7 2.6 3.1 0.7 1.2 0.9 0.8 1.1 1.6
[1] 2x01.b 1.6 2.1 4.4 1.6 4.3 0.8 1.0 1.5 0.9 0.8 0.9 1.6 0.8 1.6 1.6 1.1 0.8 1.6 1.5 1.5
0
1.4 2.4 2.8 1.3 1.8 1.8 0.9 0.9 0.9
[1] 3lce.a 0.8 1.7 4.5 1.0 4.1 1.5 0.5 0.6 1.6 1.4 1.2 2.1 1.5 0.8 0.8 1.1 1.5 0.8 0.7 0.7 1.4
0
2.6 3.0 0.7 0.9 1.2 0.6 1.0 1.4
[1] 3qnb.c 2.7 3.1 5.1 2.7 5.0 2.4 2.6 2.6 2.4 2.4 2.5 2.8 2.4 2.6 2.6 2.7 2.6 2.6 2.6 2.6 2.4 2.6
0
0.7 2.5 2.9 2.8 2.5 2.5 2.4
[1] 3qnc.a 3.2 3.1 5.2 3.1 5.1 2.7 2.6 3.1 2.8 2.8 2.9 2.9 2.8 3.1 3.1 3.1 2.8 3.1 3.1 3.1 2.8 3.0 0.7
0
2.9 3.3 3.2 2.4 2.5 2.8
[1] 4wz5.a 0.9 1.7 4.4 0.8 4.1 1.3 0.6 0.8 1.4 1.2 1.1 1.9 1.3 0.7 0.8 1.0 1.4 0.8 0.6 0.7 1.3 0.7 2.5 2.9
0
1.1 1.0 0.6 0.9 1.3
[1] 4wz5.d 1.1 1.7 4.5 1.4 4.1 1.9 0.9 1.0 2.0 1.8 1.7 2.3 1.9 1.2 1.3 1.4 1.9 1.1 1.1 1.2 1.8 0.9 2.9 3.3 1.1
0
1.4 0.9 1.4 1.8
[1] 4yin.b 1.1 1.6 4.4 0.9 4.0 1.7 1.0 1.2 1.6 1.6 1.6 2.1 1.7 0.9 0.9 1.4 1.9 1.0 0.9 0.9 1.8 1.2 2.8 3.2 1.0 1.4
0
1.1 1.3 1.8
[1] 5fq9.b 0.8 1.8 4.2 0.9 4.1 0.8 0.6 0.6 1.0 0.7 0.7 1.4 0.8 0.8 0.8 0.8 0.7 0.8 0.8 0.8 0.9 0.6 2.5 2.4 0.6 0.9 1.1
0
0.8 0.7
[1] 5mox.b 1.0 1.9 4.0 1.2 4.1 0.8 0.9 1.0 1.1 0.8 0.8 1.6 0.8 1.2 1.2 1.0 0.8 1.2 1.2 1.1 0.9 1.0 2.5 2.5 0.9 1.4 1.3 0.8
0
0.6
[1] 5moz.a 1.5 2.0 4.3 1.6 4.3 0.9 0.9 1.4 1.0 0.7 0.8 1.7 0.8 1.6 1.6 1.3 0.8 1.6 1.6 1.6 0.9 1.4 2.4 2.8 1.3 1.8 1.8 0.7 0.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

L C X E | Background Color: | Anaglyph Stereo:

loading...