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.

BLAC_MYCTU_42_307

Beta-lactamase [Class-A beta-lactamase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (BLAC_MYCTU):R: Substrate binding (251:253)
83, 84, 86, 87, 115:119, 122, 141, 142, 144, 182:187, 231, 232, 235, 236, 250, 254, 255, 289, 290, 292
83, 84, 86, 87, 115:119, 122, 141, 142, 144, 182:187, 231, 232, 235, 236, 250:255, 289, 290, 292

Full PDB list

2gdn, 3cg5, 3dwz, 3iqa, 3m6b, 3m6h, 3n6i, 3n7w, 3n8l, 3n8r, 3n8s, 3nbl, 3nc8, 3nck, 3nde, 3ndg, 3ny4, 3vff, 3vfh, 3zhh, 4df6, 4ebl, 4ebn, 4ebp, 4jlf, 4q8i, 4qb8, 4qhc, 4x6t (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
C
8
3
S
8
4
K
8
7
R
1
1
5
S
1
1
6
I
1
1
7
S
1
1
8
P
1
1
9
Q
1
2
2
S
1
4
2
E
1
8
2
P
1
8
3
N
1
8
6
R
1
8
7
T
2
3
2
R
2
3
6
K
2
5
0
T
2
5
1
G
2
5
2
T
2
5
3
G
2
5
4
D
2
5
5
E
2
8
9
P
2
9
0
E
2
9
2
[1]3cg5.a iss11 . * . . . . . . . . . . . . . . . . . . . . . . .
[1]3dwz.a dwz26 . * . . . . . . . . . . . . . . . . . . . . . . .
[1]3iqa.a drw27 . * . . . . . . . . . . . . . . . . . . . . . . .
[1]3m6b.a 1rg33 . * . . . . . . . . . . . . . . . . . . . . . . .
[1]3m6h.a 2rg33 . * . . . . . . . . . . . . . . . . . . . . . . .
[1]3n6i.a xd114 . * . . . . . . . . A . . . . . . . . . . . . . .
[1]3n8l.a aix24 . * . . . . . . . . A . . . . . . . . . . . . . .
[1]3n8r.a cb923 . * . . . . . . . . A . . . . . . . . . . . . . .
[1]3n8s.a xd231 . * . . . . . . . . A . . . . . . . . . . . . . .
[1]3nbl.a dxf29 . * . . . . . . . . A . - - . . . . . . . . . . .
[1]3nc8.a dh412 . * . . . . . . . . A . . . . . . . . . . . . . .
[1]3nck.a nff29 . * . . . . . . . . - - - - . . . . . . . . . . .
[1]3nde.a 9ep26 . * . . . . . . . . A . . . . . . . . . . . . . .
[1]3ndg.a 7ep26 . * . . . . . . . . A . . . . . . . . . . . . . .
[1]3ny4.a smx,smx62 . . A . . . . . . . . . . . . . . . . . . . . . .
[1]3vff.a cd824 . * . . . . . . . . A . . . . . . . . . . . . . .
[1]3vff.c cd824 . * . . . . . . . . - - - - . . . . . . . . . . .
[1]3vfh.c cd623 . * . . . . . . . . A . . . . . . . . . . . . . .
[1]3zhh.d none . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4df6.a nxl17 . * . . . . . . . . . . . . . . . . . . . . . . .
[1]4ebl.b sfr19 . * . . . . . . . . A . . . . . . . . . . . . . .
[1]4ebl.d none . . . . . . . . . . A . . . . . . . . . . . . . .
[1]4ebn.b axl25 . * . . . . . . . . A . . . . . . . . . . . . . .
[1]4ebp.b pcz26 . * . . . . . . . . - - - - . . . . . . . . . . .
[1]4jlf.a none . . . . . . . . . . . . . . . A . . . . . . . . .
[1]4q8i.a teb25 . * . . . . . . . . . . . . . . . . . . . . . . .
[1]4qb8.a 1te25 . - A . . . . . . . . . . . . . . . . . . . . . .
[1]4qhc.a 33v21 . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4x6t.a 3y638 . . . . . . . . . . . . A . . . . . . . . . . . .

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
C
8
3
S
8
4
F
8
6
K
8
7
R
1
1
5
S
1
1
6
I
1
1
7
S
1
1
8
P
1
1
9
Q
1
2
2
Y
1
4
1
S
1
4
2
G
1
4
4
E
1
8
2
P
1
8
3
E
1
8
4
L
1
8
5
N
1
8
6
R
1
8
7
T
2
3
1
T
2
3
2
K
2
3
5
R
2
3
6
K
2
5
0
T
2
5
1
G
2
5
2
T
2
5
3
G
2
5
4
D
2
5
5
E
2
8
9
P
2
9
0
E
2
9
2
[1]3cg5.a . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]3dwz.a . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]3iqa.a . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]3m6b.a . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]3m6h.a . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]3n6i.a . * . . . . . . . . . . . A . . . * . . . . . . . . . . . . . .
[1]3n8l.a . * . . . . . . . . . . . A . . . * . . . . . . . . . . . . . .
[1]3n8r.a . * . . . . . . . . . . . A . . . * . . . . . . . . . . . . . .
[1]3n8s.a . * . . . . . . . . . . . A . . . * . . . . . . . . . . . . . .
[1]3nbl.a . * . . . . . . . . . . . A . - - - - . . . . . . . . . . * . .
[1]3nc8.a . * . . . . . . . . . . . A . . . * . . . . . . . . . . . . . .
[1]3nck.a . * . . . . . . . . . . . - - - - - - . . . . . . . . . . * . .
[1]3nde.a . * . . . . . . . . . . . A . . . * . . . . . . . . . . . . . .
[1]3ndg.a . * . . . . . . . . . . . A . . . * . . . . . . . . . . . . . .
[1]3ny4.a . . . A . . . . . . . . . . . . . * . . . . . . . . . . . * . .
[1]3vff.a . * . . . . . . . . . . . A . . . * . . . . . . . . . . . . . .
[1]3vff.c . * . . . . . . . . . . . - - - - - - . . . . . . . . . . . . .
[1]3vfh.c . * . . . . . . . . . . . A . . . * . . . . . . . . . . . . . .
[1]3zhh.d . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]4df6.a . * . . . . . . . . . . . . . . . * . . . . . . . . . . . * . .
[1]4ebl.b . * . . . . . . . . . . . A . . . * . . . . . . . . . . . . . .
[1]4ebl.d . * . . . . . . . . . . . A . . . * * . . . . . . . . . . . . .
[1]4ebn.b . * . . . . . . . . . . . A . . . * . . . . . . . . . . . . . .
[1]4ebp.b . * . . . . . . . . . . . - - - - - - . . . . . . . . . . . . .
[1]4jlf.a . * . . . . . . . . . . . . . . . * . . . . A . . . . . . . . .
[1]4q8i.a . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]4qb8.a . - . A . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]4qhc.a . * . . . . . . . . . . . . . . . * . . . . . . . . . . . . . .
[1]4x6t.a . * . . . . . . . . . . . . . . . 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
3cg5.a:iss
3dwz.a:dwz
3iqa.a:drw
3m6b.a:1rg
3m6h.a:2rg
3n6i.a:xd1
3n8l.a:aix
3n8r.a:cb9
3n8s.a:xd2
3nbl.a:dxf
3nc8.a:dh4
3nck.a:nff
3nde.a:9ep
3ndg.a:7ep
3ny4.a:smx
3vff.a:cd8
3vff.c:cd8
3vfh.c:cd6
3zhh.d is apo
4df6.a:nxl
4ebl.b:sfr
4ebl.d is apo
4ebn.b:axl
4ebp.b:pcz
4jlf.a is apo
4q8i.a:teb
4qb8.a:1te
4qhc.a:33v
4x6t.a:3y6
[1] 3cg5.a
0.8
1.1 1.1 1.3 1.0 0.8 1.0 1.0 1.1 0.6 0.8 1.8 0.7 0.9 0.6 1.4 1.9 0.8 - 0.7 1.2 - 0.9 4.3 - 1.0 0.3 0.9 0.6
[1] 3dwz.a 0.9
1.0
0.6 1.1 0.7 1.0 1.2 1.2 1.0 0.7 0.8 1.4 0.8 0.8 0.5 0.7 1.7 0.7 - 0.5 0.5 - 0.8 4.3 - 0.8 0.3 1.1 0.5
[1] 3iqa.a 0.9 0.9
0.6
1.1 0.6 0.8 1.2 1.2 0.9 0.6 0.8 1.5 0.7 1.0 0.4 0.9 1.6 0.9 - 0.7 0.5 - 0.7 4.2 - 0.7 0.5 1.0 0.7
[1] 3m6b.a 1.0 0.9 0.8
0.9
0.6 0.9 1.1 1.3 0.9 0.6 0.8 2.0 0.9 1.0 0.5 1.1 1.6 1.1 - 0.8 0.5 - 0.7 4.2 - 0.7 0.5 1.0 0.4
[1] 3m6h.a 0.9 0.7 0.6 0.9
0.7
0.8 1.0 1.0 1.0 0.5 0.8 1.4 0.7 0.8 0.4 0.7 1.6 0.6 - 0.4 0.5 - 0.9 4.1 - 0.5 0.3 1.0 0.4
[1] 3n6i.a 0.9 0.6 0.6 1.0 0.6
0.6
0.8 0.8 0.9 0.4 0.8 1.4 0.7 0.9 0.4 0.9 1.5 0.8 - 0.6 0.6 - 0.7 4.3 - 0.6 0.3 1.1 0.4
[1] 3n8l.a 0.8 0.9 0.6 1.2 0.7 0.8
0.9
0.9 0.9 0.6 0.8 1.7 0.6 1.0 0.4 0.8 1.5 0.7 - 0.4 0.5 - 0.7 4.8 - 0.7 0.3 1.1 0.4
[1] 3n8r.a 0.8 0.8 0.6 1.2 0.6 0.8 0.8
0.8
0.8 0.6 0.8 1.7 0.6 0.9 0.4 1.1 1.7 0.9 - 0.6 0.6 - 0.7 4.7 - 0.6 0.3 1.1 0.4
[1] 3n8s.a 0.9 0.5 0.4 1.0 0.6 0.8 0.8 0.8
0.9
0.6 0.8 2.0 0.4 1.1 0.4 0.8 1.5 0.7 - 0.5 0.6 - 0.6 4.1 - 0.5 0.3 1.0 0.6
[1] 3nbl.a 1.0 0.9 0.8 1.9 1.0 1.1 1.2 1.4 1.0
0.7
0.8 1.1 0.9 0.9 0.3 1.1 1.5 1.0 - 0.5 0.5 - 0.7 1.0 - 0.9 0.3 0.9 0.5
[1] 3nc8.a 0.6 0.6 0.4 1.0 0.6 0.8 1.0 1.0 0.8 0.6
0.8
1.8 0.5 1.1 0.4 1.1 1.7 0.6 - 0.7 0.6 - 0.8 4.5 - 0.6 0.3 1.1 0.6
[1] 3nck.a 1.1 1.1 1.0 1.7 0.8 0.9 1.0 1.2 1.2 0.7 1.1
0.7
0.8 0.8 0.5 1.1 1.7 1.1 - 0.6 0.8 - 0.8 0.6 - 0.8 0.5 1.1 0.5
[1] 3nde.a 0.8 0.8 0.6 1.2 0.8 0.7 1.0 1.0 0.9 0.7 0.8 1.5
0.6
0.9 0.4 0.8 1.6 0.6 - 0.4 0.5 - 0.6 4.5 - 0.7 0.3 1.1 0.5
[1] 3ndg.a 1.1 0.9 0.8 1.3 0.9 0.8 1.0 1.2 1.2 0.8 0.9 1.2 0.8
0.7
0.3 1.1 1.8 1.0 - 0.6 0.5 - 0.9 4.2 - 0.9 0.5 0.9 0.8
[1] 3ny4.a 0.5 0.4 0.5 2.0 0.4 0.6 0.8 0.8 0.4 0.6 0.4 2.4 0.4 1.0
0.2
1.1 1.5 0.8 - 0.6 0.3 - 0.8 4.6 - 0.5 0.1 0.9 0.5
[1] 3vff.a 1.0 1.3 1.0 1.0 0.9 1.0 1.0 1.1 1.0 0.6 0.9 0.9 0.8 0.6 0.7
1.1
1.6 0.8 - 0.8 0.5 - 0.6 3.7 - 0.9 0.9 0.8 0.2
[1] 3vff.c 0.7 0.7 0.5 0.5 0.4 0.7 0.5 0.7 0.7 0.2 0.6 0.3 0.6 0.3 0.3 0.6
1.4
0.5 - 0.3 0.3 - 0.4 0.2 - 0.3 0.5 0.9 0.1
[1] 3vfh.c 0.9 1.0 1.0 1.0 1.5 0.9 1.1 1.1 1.0 1.9 0.8 3.3 0.9 2.0 0.6 1.1 1.4
1.1
- 0.8 0.6 - 0.8 3.5 - 1.0 0.5 1.0 0.6
[1] 3zhh.d 0.8 1.1 0.9 1.0 1.0 1.0 0.9 0.9 1.1 0.8 0.8 2.4 0.6 1.3 0.5 1.1 1.9 0.9
-
0.7 0.6 - 0.8 4.4 - 0.9 0.5 0.8 0.4
[1] 4df6.a 1.2 1.4 1.3 1.8 1.4 1.2 1.5 1.4 1.3 1.2 1.2 1.8 1.2 1.1 0.6 1.6 1.8 1.3 -
1.0
1.1 - 1.2 4.8 - 1.4 0.7 1.2 0.8
[1] 4ebl.b 1.1 1.3 0.9 1.0 1.2 1.2 1.1 1.1 1.2 1.3 0.8 1.7 1.1 1.2 0.6 1.2 1.8 1.1 - 1.0
0.8
- 0.9 2.1 - 1.1 0.7 0.8 0.5
[1] 4ebl.d 0.8 1.1 1.1 1.5 1.1 1.0 1.2 1.4 1.0 0.9 0.8 2.8 1.0 1.6 0.5 1.5 1.8 1.2 - 0.7 0.6
-
0.7 4.3 - 0.9 0.6 1.3 2.1
[1] 4ebn.b 1.7 0.9 0.8 0.9 1.1 0.8 0.9 0.9 1.1 1.4 1.5 2.4 1.1 2.4 0.9 1.6 1.8 1.3 - 0.8 0.7 -
1.2
5.7 - 0.9 0.5 1.1 1.5
[1] 4ebp.b 0.9 1.1 0.8 0.9 1.0 1.1 1.1 1.1 1.0 0.9 0.9 0.6 0.8 0.7 0.3 1.0 1.7 0.8 - 0.7 0.6 - 0.8
0.9
- 0.9 0.3 0.6 0.3
[1] 4jlf.a 1.2 1.6 1.4 1.1 1.6 1.1 1.4 1.4 1.4 0.8 1.2 2.6 1.2 1.2 0.6 1.9 2.0 1.3 - 1.0 0.9 - 1.2 5.4
-
1.5 0.8 1.1 1.0
[1] 4q8i.a 0.9 1.0 0.6 1.1 0.7 1.0 1.2 1.2 1.0 0.7 0.8 1.4 0.8 0.9 0.4 0.9 1.6 0.8 - 0.5 0.5 - 0.8 4.3 -
0.8
0.3 1.1 0.5
[1] 4qb8.a 0.1 0.2 0.1 0.7 0.2 0.3 0.6 0.6 0.3 0.5 0 2.2 0.4 0.6 0.2 0.9 1.1 0.4 - 0.2 0.2 - 0.5 4.3 - 0.2
0
1.0 0.4
[1] 4qhc.a 1.0 1.5 1.5 1.8 1.6 1.2 1.5 1.5 1.2 1.3 1.0 2.0 1.2 1.4 0.2 1.8 2.0 1.3 - 0.9 1.1 - 1.0 3.0 - 1.7 0.7
0.3
0.6
[1] 4x6t.a 0.8 1.2 1.0 1.1 1.2 1.1 1.2 1.2 1.0 0.8 0.8 2.1 0.8 1.0 0.3 1.5 1.8 1.1 - 0.6 0.5 - 1.0 3.3 - 1.2 0.5 1.0
0.3
[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
3cg5.a
3dwz.a
3iqa.a
3m6b.a
3m6h.a
3n6i.a
3n8l.a
3n8r.a
3n8s.a
3nbl.a
3nc8.a
3nck.a
3nde.a
3ndg.a
3ny4.a
3vff.a
3vff.c
3vfh.c
3zhh.d
4df6.a
4ebl.b
4ebl.d
4ebn.b
4ebp.b
4jlf.a
4q8i.a
4qb8.a
4qhc.a
4x6t.a
[1] 3cg5.a
0
.04 .05 .06 .03 .05 .05 .06 .05 .18 .04 .20 .04 .05 .10 .12 .21 .12 .07 .07 .17 .12 .15 .19 .08 .04 .08 .12 .10
[1] 3dwz.a .04
0
.02 .04 .01 .04 .05 .06 .05 .15 .03 .19 .03 .04 .10 .11 .18 .10 .08 .07 .15 .13 .15 .18 .12 .01 .10 .13 .12
[1] 3iqa.a .05 .02
0
.02 .02 .04 .04 .04 .04 .14 .04 .17 .04 .03 .09 .09 .17 .09 .08 .06 .15 .11 .14 .17 .11 .02 .11 .12 .11
[1] 3m6b.a .06 .04 .02
0
.03 .05 .05 .05 .05 .16 .05 .19 .05 .04 .10 .09 .16 .08 .07 .07 .15 .10 .13 .17 .09 .04 .12 .13 .09
[1] 3m6h.a .03 .01 .02 .03
0
.03 .04 .05 .04 .15 .04 .18 .03 .03 .10 .10 .17 .10 .08 .07 .15 .13 .15 .17 .12 .01 .10 .12 .11
[1] 3n6i.a .05 .04 .04 .05 .03
0
.03 .03 .02 .15 .04 .18 .03 .02 .09 .10 .17 .10 .08 .05 .16 .10 .13 .18 .11 .04 .10 .13 .13
[1] 3n8l.a .05 .05 .04 .05 .04 .03
0
.01 .02 .17 .02 .20 .02 .05 .06 .12 .18 .11 .07 .04 .17 .11 .13 .20 .10 .05 .09 .16 .13
[1] 3n8r.a .06 .06 .04 .05 .05 .03 .01
0
.02 .17 .03 .19 .03 .04 .07 .11 .18 .11 .06 .03 .17 .11 .12 .19 .09 .06 .09 .15 .12
[1] 3n8s.a .05 .05 .04 .05 .04 .02 .02 .02
0
.16 .03 .18 .02 .03 .07 .10 .17 .09 .06 .03 .16 .09 .12 .18 .11 .05 .10 .14 .11
[1] 3nbl.a .18 .15 .14 .16 .15 .15 .17 .17 .16
0
.17 .04 .17 .14 .19 .17 .07 .16 .20 .17 .11 .22 .23 .07 .23 .15 .24 .16 .18
[1] 3nc8.a .04 .03 .04 .05 .04 .04 .02 .03 .03 .17
0
.20 .02 .05 .07 .12 .20 .12 .07 .05 .17 .11 .13 .19 .09 .03 .07 .16 .13
[1] 3nck.a .20 .19 .17 .19 .18 .18 .20 .19 .18 .04 .20
0
.19 .16 .21 .16 .06 .16 .21 .17 .11 .23 .20 .06 .24 .19 .27 .17 .19
[1] 3nde.a .04 .03 .04 .05 .03 .03 .02 .03 .02 .17 .02 .19
0
.05 .07 .11 .19 .11 .06 .05 .16 .11 .13 .18 .11 .03 .08 .16 .12
[1] 3ndg.a .05 .04 .03 .04 .03 .02 .05 .04 .03 .14 .05 .16 .05
0
.11 .08 .16 .08 .07 .04 .14 .10 .12 .17 .10 .04 .12 .11 .12
[1] 3ny4.a .10 .10 .09 .10 .10 .09 .06 .07 .07 .19 .07 .21 .07 .11
0
.16 .24 .16 .10 .08 .22 .14 .17 .24 .11 .10 .09 .19 .14
[1] 3vff.a .12 .11 .09 .09 .10 .10 .12 .11 .10 .17 .12 .16 .11 .08 .16
0
.13 .05 .10 .10 .08 .12 .09 .13 .11 .11 .19 .08 .10
[1] 3vff.c .21 .18 .17 .16 .17 .17 .18 .18 .17 .07 .20 .06 .19 .16 .24 .13
0
.13 .19 .19 .09 .22 .18 .04 .23 .18 .27 .17 .16
[1] 3vfh.c .12 .10 .09 .08 .10 .10 .11 .11 .09 .16 .12 .16 .11 .08 .16 .05 .13
0
.10 .11 .10 .13 .10 .13 .14 .10 .18 .12 .10
[1] 3zhh.d .07 .08 .08 .07 .08 .08 .07 .06 .06 .20 .07 .21 .06 .07 .10 .10 .19 .10
0
.06 .15 .09 .11 .17 .07 .09 .10 .15 .09
[1] 4df6.a .07 .07 .06 .07 .07 .05 .04 .03 .03 .17 .05 .17 .05 .04 .08 .10 .19 .11 .06
0
.16 .11 .12 .19 .09 .07 .12 .14 .13
[1] 4ebl.b .17 .15 .15 .15 .15 .16 .17 .17 .16 .11 .17 .11 .16 .14 .22 .08 .09 .10 .15 .16
0
.19 .14 .06 .18 .15 .24 .12 .13
[1] 4ebl.d .12 .13 .11 .10 .13 .10 .11 .11 .09 .22 .11 .23 .11 .10 .14 .12 .22 .13 .09 .11 .19
0
.15 .21 .09 .13 .16 .18 .10
[1] 4ebn.b .15 .15 .14 .13 .15 .13 .13 .12 .12 .23 .13 .20 .13 .12 .17 .09 .18 .10 .11 .12 .14 .15
0
.17 .13 .15 .19 .17 .18
[1] 4ebp.b .19 .18 .17 .17 .17 .18 .20 .19 .18 .07 .19 .06 .18 .17 .24 .13 .04 .13 .17 .19 .06 .21 .17
0
.22 .18 .26 .16 .15
[1] 4jlf.a .08 .12 .11 .09 .12 .11 .10 .09 .11 .23 .09 .24 .11 .10 .11 .11 .23 .14 .07 .09 .18 .09 .13 .22
0
.12 .10 .14 .11
[1] 4q8i.a .04 .01 .02 .04 .01 .04 .05 .06 .05 .15 .03 .19 .03 .04 .10 .11 .18 .10 .09 .07 .15 .13 .15 .18 .12
0
.09 .13 .12
[1] 4qb8.a .08 .10 .11 .12 .10 .10 .09 .09 .10 .24 .07 .27 .08 .12 .09 .19 .27 .18 .10 .12 .24 .16 .19 .26 .10 .09
0
.20 .14
[1] 4qhc.a .12 .13 .12 .13 .12 .13 .16 .15 .14 .16 .16 .17 .16 .11 .19 .08 .17 .12 .15 .14 .12 .18 .17 .16 .14 .13 .20
0
.11
[1] 4x6t.a .10 .12 .11 .09 .11 .13 .13 .12 .11 .18 .13 .19 .12 .12 .14 .10 .16 .10 .09 .13 .13 .10 .18 .15 .11 .12 .14 .11
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
3cg5.a
3dwz.a
3iqa.a
3m6b.a
3m6h.a
3n6i.a
3n8l.a
3n8r.a
3n8s.a
3nbl.a
3nc8.a
3nck.a
3nde.a
3ndg.a
3ny4.a
3vff.a
3vff.c
3vfh.c
3zhh.d
4df6.a
4ebl.b
4ebl.d
4ebn.b
4ebp.b
4jlf.a
4q8i.a
4qb8.a
4qhc.a
4x6t.a
[1] 3cg5.a
0
0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.1 0.2 0.1 0.3 0.1 0.2 0.2 0.6 0.5 0.6 0.4 0.2 0.8 0.5 1.2 0.5 0.3 0.2 0.2 0.6 0.3
[1] 3dwz.a 0.2
0
0.1 0.2 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.3 0.2 0.2 0.3 0.6 0.5 0.6 0.4 0.2 0.8 0.6 1.3 0.5 0.3 0.2 0.2 0.5 0.4
[1] 3iqa.a 0.2 0.1
0
0.2 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.3 0.2 0.2 0.3 0.6 0.4 0.6 0.4 0.2 0.8 0.5 1.3 0.5 0.3 0.1 0.3 0.5 0.4
[1] 3m6b.a 0.2 0.2 0.2
0
0.2 0.1 0.1 0.2 0.2 0.2 0.2 0.3 0.2 0.2 0.3 0.6 0.4 0.5 0.4 0.2 0.8 0.5 1.2 0.5 0.3 0.1 0.2 0.5 0.3
[1] 3m6h.a 0.2 0.1 0.1 0.2
0
0.2 0.2 0.3 0.2 0.2 0.2 0.4 0.2 0.2 0.3 0.6 0.5 0.6 0.5 0.3 0.8 0.6 1.3 0.5 0.3 0.2 0.2 0.5 0.4
[1] 3n6i.a 0.2 0.2 0.2 0.1 0.2
0
0.1 0.1 0.1 0.2 0.1 0.3 0.2 0.2 0.3 0.6 0.4 0.5 0.4 0.2 0.8 0.5 1.2 0.5 0.3 0.2 0.2 0.6 0.3
[1] 3n8l.a 0.2 0.2 0.2 0.1 0.2 0.1
0
0.1 0.1 0.2 0.2 0.4 0.1 0.2 0.2 0.6 0.4 0.5 0.4 0.2 0.8 0.5 1.2 0.5 0.3 0.2 0.2 0.6 0.3
[1] 3n8r.a 0.2 0.2 0.2 0.2 0.3 0.1 0.1
0
0.1 0.3 0.2 0.3 0.2 0.2 0.3 0.6 0.4 0.5 0.4 0.2 0.8 0.5 1.2 0.5 0.3 0.2 0.3 0.6 0.3
[1] 3n8s.a 0.1 0.2 0.2 0.2 0.2 0.1 0.1 0.1
0
0.2 0.1 0.3 0.1 0.2 0.2 0.6 0.4 0.5 0.4 0.2 0.8 0.5 1.2 0.5 0.3 0.2 0.2 0.6 0.3
[1] 3nbl.a 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.3 0.2
0
0.2 0.3 0.2 0.2 0.3 0.5 0.4 0.4 0.4 0.3 0.4 0.5 0.8 0.4 0.3 0.2 0.3 0.4 0.3
[1] 3nc8.a 0.1 0.2 0.2 0.2 0.2 0.1 0.2 0.2 0.1 0.2
0
0.3 0.2 0.2 0.2 0.6 0.4 0.5 0.4 0.2 0.8 0.5 1.2 0.5 0.3 0.2 0.2 0.6 0.3
[1] 3nck.a 0.3 0.3 0.3 0.3 0.4 0.3 0.4 0.3 0.3 0.3 0.3
0
0.3 0.2 0.4 0.3 0.3 0.3 0.4 0.3 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.3
[1] 3nde.a 0.1 0.2 0.2 0.2 0.2 0.2 0.1 0.2 0.1 0.2 0.2 0.3
0
0.2 0.2 0.6 0.4 0.5 0.4 0.2 0.8 0.5 1.2 0.5 0.2 0.2 0.2 0.6 0.3
[1] 3ndg.a 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2
0
0.3 0.6 0.4 0.5 0.4 0.2 0.8 0.4 1.2 0.5 0.3 0.2 0.3 0.6 0.3
[1] 3ny4.a 0.2 0.3 0.3 0.3 0.3 0.3 0.2 0.3 0.2 0.3 0.2 0.4 0.2 0.3
0
0.6 0.5 0.6 0.4 0.3 0.9 0.5 1.3 0.5 0.3 0.3 0.2 0.6 0.3
[1] 3vff.a 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.5 0.6 0.3 0.6 0.6 0.6
0
0.4 0.5 0.6 0.6 0.8 0.6 1.1 0.4 0.7 0.6 0.6 0.6 0.6
[1] 3vff.c 0.5 0.5 0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.4 0.4 0.3 0.4 0.4 0.5 0.4
0
0.2 0.3 0.4 0.4 0.5 0.4 0.4 0.5 0.4 0.5 0.5 0.4
[1] 3vfh.c 0.6 0.6 0.6 0.5 0.6 0.5 0.5 0.5 0.5 0.4 0.5 0.3 0.5 0.5 0.6 0.5 0.2
0
0.5 0.5 0.7 0.6 1.2 0.4 0.6 0.6 0.6 0.6 0.5
[1] 3zhh.d 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.6 0.3 0.5
0
0.4 0.7 0.5 1.2 0.5 0.5 0.4 0.5 0.6 0.4
[1] 4df6.a 0.2 0.2 0.2 0.2 0.3 0.2 0.2 0.2 0.2 0.3 0.2 0.3 0.2 0.2 0.3 0.6 0.4 0.5 0.4
0
0.8 0.5 1.2 0.5 0.3 0.2 0.3 0.5 0.3
[1] 4ebl.b 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.8 0.4 0.8 0.4 0.8 0.8 0.9 0.8 0.4 0.7 0.7 0.8
0
0.9 1.3 0.2 0.9 0.8 0.9 0.6 0.9
[1] 4ebl.d 0.5 0.6 0.5 0.5 0.6 0.5 0.5 0.5 0.5 0.5 0.5 0.4 0.5 0.4 0.5 0.6 0.5 0.6 0.5 0.5 0.9
0
1.2 0.6 0.5 0.5 0.5 0.7 0.4
[1] 4ebn.b 1.2 1.3 1.3 1.2 1.3 1.2 1.2 1.2 1.2 0.8 1.2 0.4 1.2 1.2 1.3 1.1 0.4 1.2 1.2 1.2 1.3 1.2
0
0.4 1.2 1.3 1.3 1.2 1.2
[1] 4ebp.b 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.4 0.5 0.4 0.5 0.5 0.5 0.4 0.4 0.4 0.5 0.5 0.2 0.6 0.4
0
0.6 0.5 0.5 0.4 0.4
[1] 4jlf.a 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.2 0.3 0.3 0.7 0.5 0.6 0.5 0.3 0.9 0.5 1.2 0.6
0
0.4 0.2 0.6 0.4
[1] 4q8i.a 0.2 0.2 0.1 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.4 0.2 0.2 0.3 0.6 0.4 0.6 0.4 0.2 0.8 0.5 1.3 0.5 0.4
0
0.3 0.6 0.4
[1] 4qb8.a 0.2 0.2 0.3 0.2 0.2 0.2 0.2 0.3 0.2 0.3 0.2 0.4 0.2 0.3 0.2 0.6 0.5 0.6 0.5 0.3 0.9 0.5 1.3 0.5 0.2 0.3
0
0.6 0.3
[1] 4qhc.a 0.6 0.5 0.5 0.5 0.5 0.6 0.6 0.6 0.6 0.4 0.6 0.4 0.6 0.6 0.6 0.6 0.5 0.6 0.6 0.5 0.6 0.7 1.2 0.4 0.6 0.6 0.6
0
0.6
[1] 4x6t.a 0.3 0.4 0.4 0.3 0.4 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.6 0.4 0.5 0.4 0.3 0.9 0.4 1.2 0.4 0.4 0.4 0.3 0.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 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
3cg5.a
3dwz.a
3iqa.a
3m6b.a
3m6h.a
3n6i.a
3n8l.a
3n8r.a
3n8s.a
3nbl.a
3nc8.a
3nck.a
3nde.a
3ndg.a
3ny4.a
3vff.a
3vff.c
3vfh.c
3zhh.d
4df6.a
4ebl.b
4ebl.d
4ebn.b
4ebp.b
4jlf.a
4q8i.a
4qb8.a
4qhc.a
4x6t.a
[1] 3cg5.a
0
0.3 0.3 0.6 0.3 0.2 0.3 0.5 0.2 0.3 0.3 0.5 0.3 0.3 0.5 0.7 0.5 1.0 1.0 0.4 1.4 1.0 1.4 1.4 0.8 0.6 0.6 1.1 1.0
[1] 3dwz.a 0.3
0
0.1 0.6 0.1 0.3 0.4 0.5 0.3 0.3 0.3 0.5 0.2 0.4 0.5 0.7 0.5 1.0 1.0 0.4 1.5 1.0 1.4 1.4 0.8 0.5 0.6 1.0 1.0
[1] 3iqa.a 0.3 0.1
0
0.6 0.2 0.3 0.4 0.5 0.3 0.3 0.3 0.5 0.2 0.4 0.5 0.7 0.5 1.0 1.0 0.3 1.4 1.0 1.4 1.4 0.8 0.5 0.6 1.0 1.0
[1] 3m6b.a 0.6 0.6 0.6
0
0.6 0.6 0.6 0.7 0.6 0.7 0.6 0.8 0.6 0.7 0.7 0.8 0.6 1.1 0.9 0.6 1.5 1.0 1.4 1.4 0.7 0.6 0.6 1.1 0.9
[1] 3m6h.a 0.3 0.1 0.2 0.6
0
0.3 0.4 0.5 0.3 0.3 0.3 0.5 0.2 0.4 0.5 0.7 0.5 1.0 1.0 0.4 1.5 1.0 1.4 1.4 0.8 0.5 0.6 1.0 1.0
[1] 3n6i.a 0.2 0.3 0.3 0.6 0.3
0
0.3 0.5 0.2 0.3 0.3 0.5 0.3 0.3 0.5 0.7 0.5 1.0 1.0 0.4 1.4 1.0 1.3 1.3 0.8 0.5 0.6 1.1 1.0
[1] 3n8l.a 0.3 0.4 0.4 0.6 0.4 0.3
0
0.5 0.3 0.3 0.3 0.5 0.3 0.3 0.6 0.7 0.5 1.0 1.0 0.5 1.4 1.0 1.3 1.4 0.8 0.6 0.6 1.1 0.9
[1] 3n8r.a 0.5 0.5 0.5 0.7 0.5 0.5 0.5
0
0.5 0.5 0.5 0.6 0.5 0.5 0.6 0.7 0.5 1.0 0.9 0.5 1.5 0.9 1.4 1.5 0.8 0.7 0.7 1.0 1.1
[1] 3n8s.a 0.2 0.3 0.3 0.6 0.3 0.2 0.3 0.5
0
0.3 0.3 0.5 0.3 0.3 0.5 0.7 0.5 0.9 1.0 0.4 1.4 1.0 1.3 1.4 0.8 0.5 0.6 1.1 1.0
[1] 3nbl.a 0.3 0.3 0.3 0.7 0.3 0.3 0.3 0.5 0.3
0
0.3 0.4 0.3 0.3 0.5 0.7 0.5 0.7 1.0 0.4 1.4 1.0 1.0 1.4 0.9 0.6 0.7 0.7 1.0
[1] 3nc8.a 0.3 0.3 0.3 0.6 0.3 0.3 0.3 0.5 0.3 0.3
0
0.5 0.2 0.4 0.5 0.7 0.5 1.0 1.0 0.4 1.4 1.0 1.4 1.3 0.8 0.5 0.6 1.0 0.9
[1] 3nck.a 0.5 0.5 0.5 0.8 0.5 0.5 0.5 0.6 0.5 0.4 0.5
0
0.5 0.4 0.6 0.6 0.4 0.8 1.1 0.5 1.4 1.1 0.7 1.4 0.9 0.7 0.8 0.7 1.1
[1] 3nde.a 0.3 0.2 0.2 0.6 0.2 0.3 0.3 0.5 0.3 0.3 0.2 0.5
0
0.4 0.5 0.7 0.5 0.9 1.0 0.4 1.4 1.0 1.3 1.4 0.8 0.5 0.6 1.0 0.9
[1] 3ndg.a 0.3 0.4 0.4 0.7 0.4 0.3 0.3 0.5 0.3 0.3 0.4 0.4 0.4
0
0.6 0.6 0.5 1.0 1.0 0.5 1.5 1.0 1.3 1.4 0.8 0.6 0.7 1.1 1.0
[1] 3ny4.a 0.5 0.5 0.5 0.7 0.5 0.5 0.6 0.6 0.5 0.5 0.5 0.6 0.5 0.6
0
0.8 0.6 1.0 1.0 0.4 1.5 1.1 1.4 1.4 0.8 0.6 0.7 1.1 1.0
[1] 3vff.a 0.7 0.7 0.7 0.8 0.7 0.7 0.7 0.7 0.7 0.7 0.7 0.6 0.7 0.6 0.8
0
0.4 0.5 1.0 0.7 0.8 0.8 1.1 0.5 1.0 0.8 0.9 0.8 0.8
[1] 3vff.c 0.5 0.5 0.5 0.6 0.5 0.5 0.5 0.5 0.5 0.5 0.5 0.4 0.5 0.5 0.6 0.4
0
0.2 0.7 0.5 0.5 0.6 0.5 0.5 0.9 0.7 0.8 0.8 0.7
[1] 3vfh.c 1.0 1.0 1.0 1.1 1.0 1.0 1.0 1.0 0.9 0.7 1.0 0.8 0.9 1.0 1.0 0.5 0.2
0
1.0 1.0 1.3 1.2 1.2 1.3 1.2 1.1 1.1 1.0 1.1
[1] 3zhh.d 1.0 1.0 1.0 0.9 1.0 1.0 1.0 0.9 1.0 1.0 1.0 1.1 1.0 1.0 1.0 1.0 0.7 1.0
0
1.0 1.6 1.0 1.4 1.6 0.8 0.9 0.9 1.2 1.0
[1] 4df6.a 0.4 0.4 0.3 0.6 0.4 0.4 0.5 0.5 0.4 0.4 0.4 0.5 0.4 0.5 0.4 0.7 0.5 1.0 1.0
0
1.4 0.9 1.3 1.4 0.8 0.6 0.7 1.0 1.0
[1] 4ebl.b 1.4 1.5 1.4 1.5 1.5 1.4 1.4 1.5 1.4 1.4 1.4 1.4 1.4 1.5 1.5 0.8 0.5 1.3 1.6 1.4
0
1.5 1.3 0.3 1.6 1.5 1.6 1.5 1.3
[1] 4ebl.d 1.0 1.0 1.0 1.0 1.0 1.0 1.0 0.9 1.0 1.0 1.0 1.1 1.0 1.0 1.1 0.8 0.6 1.2 1.0 0.9 1.5
0
1.4 1.4 1.1 1.1 1.1 1.4 1.0
[1] 4ebn.b 1.4 1.4 1.4 1.4 1.4 1.3 1.3 1.4 1.3 1.0 1.4 0.7 1.3 1.3 1.4 1.1 0.5 1.2 1.4 1.3 1.3 1.4
0
0.6 1.5 1.4 1.5 1.4 1.4
[1] 4ebp.b 1.4 1.4 1.4 1.4 1.4 1.3 1.4 1.5 1.4 1.4 1.3 1.4 1.4 1.4 1.4 0.5 0.5 1.3 1.6 1.4 0.3 1.4 0.6
0
1.6 1.4 1.5 1.5 1.1
[1] 4jlf.a 0.8 0.8 0.8 0.7 0.8 0.8 0.8 0.8 0.8 0.9 0.8 0.9 0.8 0.8 0.8 1.0 0.9 1.2 0.8 0.8 1.6 1.1 1.5 1.6
0
0.7 0.6 1.1 0.9
[1] 4q8i.a 0.6 0.5 0.5 0.6 0.5 0.5 0.6 0.7 0.5 0.6 0.5 0.7 0.5 0.6 0.6 0.8 0.7 1.1 0.9 0.6 1.5 1.1 1.4 1.4 0.7
0
0.4 1.0 0.8
[1] 4qb8.a 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.7 0.6 0.7 0.6 0.8 0.6 0.7 0.7 0.9 0.8 1.1 0.9 0.7 1.6 1.1 1.5 1.5 0.6 0.4
0
1.1 0.8
[1] 4qhc.a 1.1 1.0 1.0 1.1 1.0 1.1 1.1 1.0 1.1 0.7 1.0 0.7 1.0 1.1 1.1 0.8 0.8 1.0 1.2 1.0 1.5 1.4 1.4 1.5 1.1 1.0 1.1
0
1.4
[1] 4x6t.a 1.0 1.0 1.0 0.9 1.0 1.0 0.9 1.1 1.0 1.0 0.9 1.1 0.9 1.0 1.0 0.8 0.7 1.1 1.0 1.0 1.3 1.0 1.4 1.1 0.9 0.8 0.8 1.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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

loading...