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CAH1_HUMAN_2_261

Carbonic anhydrase 1 [Alpha-carbonic anhydrase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CAH1_HUMAN):D: Alpha-carbonic anhydrase (4, 6, 21, 61:63, 65:68, 70, 92, 93, 95, 97, 120, 122, 130:134, 136:138, 142, 144, 171, 174, 199:203, 205, 210)
R: Substrate binding (200, 201)
4, 6, 21, 61:63, 65:68, 70, 92, 93, 95, 97, 120, 122, 130:134, 136:138, 142, 144, 171, 174, 199:203, 205, 210
Metals (Me):Hg/Zn

Full PDB list

1azm, 1bzm, 1crm, 1czm, 1hcb, 1hug, 1huh, 1j9w, 1jv0, 2cab, 2foy, 2fw4, 2it4, 2nmx, 2nn1, 2nn7, 3lxe, 3w6h, 3w6i, 4wr7, 4wup, 4wuq, 5e2m, 5gmm (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
I
6
1
V
6
3
H
6
5
S
6
6
H
6
8
N
7
0
F
9
2
Q
9
3
H
9
5
H
9
7
H
1
2
0
A
1
2
2
S
1
3
1
L
1
3
2
A
1
3
3
A
1
3
6
S
1
3
7
L
1
4
2
V
1
4
4
K
1
7
1
L
1
9
9
T
2
0
0
H
2
0
1
P
2
0
2
P
2
0
3
Y
2
0
5
W
2
1
0
[1]1azm.a azm13 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1bzm.a mzm14 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1crm.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . Hg
[1]1czm.a aas11 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1hug.a au,auc,auc6 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1j9w.a none . . . . R . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1jv0.a zn1 . . . . R . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2foy.a b30,b3050 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2fw4.b H11 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2it4.a ppf7 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2it4.b none . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2nmx.a m25,m2532 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2nn1.a m28,m2830 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2nn7.b m29,m2934 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3lxe.a tor22 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3w6h.a azm,azm,flb,flb66 . . . . * . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3w6h.b azm,flb,flb53 . . . . * . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3w6i.a flb,flb40 . . . . * . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4wr7.a 3tv18 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4wup.a 3uf14 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4wuq.a 3ug20 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5e2m.b v1428 . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5gmm.a 949,949,949,949100 . . . . . . . . . . . . . . . . . . . . . . . . . . . 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
P
4
W
6
Y
2
1
I
6
1
N
6
2
V
6
3
H
6
5
S
6
6
F
6
7
H
6
8
N
7
0
F
9
2
Q
9
3
H
9
5
H
9
7
H
1
2
0
A
1
2
2
S
1
3
0
S
1
3
1
L
1
3
2
A
1
3
3
E
1
3
4
A
1
3
6
S
1
3
7
K
1
3
8
L
1
4
2
V
1
4
4
K
1
7
1
R
1
7
4
L
1
9
9
T
2
0
0
H
2
0
1
P
2
0
2
P
2
0
3
Y
2
0
5
W
2
1
0
[1]1azm.a . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]1bzm.a . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1crm.a - . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . Hg
[1]1czm.a . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1hug.a - . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]1j9w.a - . . . . . . . . R . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]1jv0.a - . . . . . . . . R . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]2foy.a - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]2fw4.b - . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]2it4.a - . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]2it4.b - . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]2nmx.a . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2nn1.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2nn7.b - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]3lxe.a - . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3w6h.a - . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]3w6h.b - . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]3w6i.a - . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]4wr7.a . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]4wup.a - . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]4wuq.a . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . . Zn
[1]5e2m.b - . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5gmm.a - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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
1azm.a:azm
1bzm.a:mzm
1crm.a is apo
1czm.a:aas
1hug.a:au,auc
1j9w.a is apo
1jv0.a:zn
2foy.a:b30
2fw4.b:H
2it4.a:ppf
2it4.b is apo
2nmx.a:m25
2nn1.a:m28
2nn7.b:m29
3lxe.a:tor
3w6h.a:azm,flb
3w6h.b:azm,flb
3w6i.a:flb
4wr7.a:3tv
4wup.a:3uf
4wuq.a:3ug
5e2m.b:v14
5gmm.a:949
[1] 1azm.a
0
0.2 - 0 0 - 0.5 0.1 0 0 - 0 0 0 1.5 1.8 1.6 0.7 0 0 0 0.6 0.7
[1] 1bzm.a 0
0
- 0 0 - 0.4 0.1 0 0 - 0 0 0 1.2 1.7 1.5 0.7 0 0 0 0.5 0.7
[1] 1crm.a 0.2 0.5
-
0 0 - 0.3 0.4 0 0.1 - 0.1 0 0.1 1.5 1.6 1.8 0.8 0.2 0.2 0.2 1.1 0.9
[1] 1czm.a 0 0.1 -
0
0 - 0.4 0 0 0 - 0 0 0 0.9 1.8 1.4 0.7 0 0 0 0.7 0.6
[1] 1hug.a 0.1 0.2 - 0
0
- 0.3 0.2 0 0 - 0.1 0 0 1.2 1.6 1.4 0.4 0.1 0.1 0 0.9 0.6
[1] 1j9w.a 0.1 0.2 - 0 0
-
0.2 0.1 0 0 - 0.1 0.1 0.5 1.5 3.0 3.0 2.9 0.1 0 0.1 0.7 1.6
[1] 1jv0.a 0 0.1 - 0 0.1 -
0.5
0.9 0 0 - 0 0.1 0 1.9 1.0 1.2 0.8 0 0 0 1.2 2.2
[1] 2foy.a 0 0.2 - 0 0 - 0.4
0.1
0 0 - 0.1 0.1 0 1.8 1.4 1.3 0.4 0 0 0 1.0 0.6
[1] 2fw4.b 0.1 0.2 - 0 0 - 0.4 0.3
0
0.1 - 0 0 0 1.6 1.3 1.5 0.6 0.2 0 0.2 0.6 0.9
[1] 2it4.a 0.1 0.1 - 0 0 - 0.4 0.1 0
0
- 0 0 0 1.5 1.7 1.4 0.5 0 0 0 0.5 0.6
[1] 2it4.b 0 0.3 - 0 0 - 0.4 0.2 0 0.2
-
0 0 0 1.5 1.7 2.0 1.1 0 0 0.1 0.6 0.8
[1] 2nmx.a 0 0.1 - 0 0.1 - 0.2 0.1 0 0 -
0.1
0.1 0 1.2 1.6 1.4 0.5 0 0 0 0.5 0.6
[1] 2nn1.a 0 0.2 - 0 0 - 0.1 0.2 0 0 - 0
0
0 1.3 1.4 1.3 0.5 0.1 0 0 0.5 0.6
[1] 2nn7.b 0 0.2 - 0 0 - 0.5 0.1 0 0 - 0 0
0
1.8 1.2 1.4 0.4 0 0 0 0.5 0.6
[1] 3lxe.a 0 0 - 0 0 - 0 0.1 0 0 - 0 0 0
0
2.7 2.8 1.7 0 0 0 0.1 0.9
[1] 3w6h.a 0.1 0.1 - 0 0 - 0.6 0.2 0 0 - 0.1 0.1 0.2 1.5
0.9
1.2 0.5 0 0 0 0.6 0.4
[1] 3w6h.b 0.1 0.1 - 0 0 - 0.6 0 0.1 0 - 0.1 0.1 0.1 2.0 0.8
0.8
0.5 0 0 0 0.6 0.5
[1] 3w6i.a 0.3 0.6 - 0.1 0 - 0.3 0.5 0 0.3 - 0.3 0.1 0.1 1.7 2.2 1.9
0.7
0.4 0.2 0.4 1.2 1.3
[1] 4wr7.a 0 0.2 - 0 0.1 - 0.2 0.1 0 0 - 0 0 0 1.8 1.6 1.6 0.5
0
0 0 0.4 0.9
[1] 4wup.a 0 0.2 - 0 0.1 - 0.2 0.2 0 0 - 0 0 0 1.5 2.0 1.9 0.7 0.1
0
0 0.5 0.6
[1] 4wuq.a 0 0.2 - 0 0 - 0.4 0.1 0 0 - 0 0.1 0 1.5 1.8 1.7 0.7 0.1 0
0
0.7 0.8
[1] 5e2m.b 0.1 0 - 0 0 - 0.2 0.1 0 0 - 0 0 0 1.3 1.2 1.2 0.5 0 0 0
0
0.8
[1] 5gmm.a 0 0.1 - 0 0 - 0.4 0.2 0 0 - 0 0 0 1.2 1.0 0.7 0.5 0 0 0 0.7
0
[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
1azm.a
1bzm.a
1crm.a
1czm.a
1hug.a
1j9w.a
1jv0.a
2foy.a
2fw4.b
2it4.a
2it4.b
2nmx.a
2nn1.a
2nn7.b
3lxe.a
3w6h.a
3w6h.b
3w6i.a
4wr7.a
4wup.a
4wuq.a
5e2m.b
5gmm.a
[1] 1azm.a
0
.01 .01 .01 .01 .07 .05 .05 .03 .01 .03 .04 .04 .04 .08 .04 .05 .03 .03 .03 .02 .04 .04
[1] 1bzm.a .01
0
.02 .01 .01 .07 .05 .05 .03 .02 .03 .04 .04 .04 .08 .05 .05 .04 .04 .03 .02 .04 .04
[1] 1crm.a .01 .02
0
.02 .03 .07 .05 .05 .03 .02 .03 .06 .05 .04 .09 .04 .05 .03 .04 .04 .03 .05 .05
[1] 1czm.a .01 .01 .02
0
.02 .08 .05 .06 .03 .02 .03 .04 .04 .04 .07 .05 .06 .04 .04 .03 .03 .04 .04
[1] 1hug.a .01 .01 .03 .02
0
.07 .06 .05 .03 .01 .04 .04 .04 .04 .09 .05 .05 .03 .03 .04 .01 .03 .03
[1] 1j9w.a .07 .07 .07 .08 .07
0
.06 .07 .08 .07 .08 .08 .08 .08 .06 .10 .09 .06 .07 .06 .07 .09 .10
[1] 1jv0.a .05 .05 .05 .05 .06 .06
0
.07 .06 .05 .07 .06 .06 .06 .07 .07 .08 .06 .06 .04 .05 .08 .08
[1] 2foy.a .05 .05 .05 .06 .05 .07 .07
0
.06 .04 .07 .04 .02 .03 .10 .06 .05 .04 .03 .04 .04 .05 .05
[1] 2fw4.b .03 .03 .03 .03 .03 .08 .06 .06
0
.02 .03 .05 .05 .04 .10 .04 .04 .03 .04 .05 .03 .04 .05
[1] 2it4.a .01 .02 .02 .02 .01 .07 .05 .04 .02
0
.03 .04 .04 .03 .09 .04 .04 .02 .03 .03 .02 .03 .04
[1] 2it4.b .03 .03 .03 .03 .04 .08 .07 .07 .03 .03
0
.06 .06 .04 .10 .05 .06 .03 .04 .04 .04 .05 .06
[1] 2nmx.a .04 .04 .06 .04 .04 .08 .06 .04 .05 .04 .06
0
.02 .04 .07 .07 .07 .05 .02 .03 .03 .03 .04
[1] 2nn1.a .04 .04 .05 .04 .04 .08 .06 .02 .05 .04 .06 .02
0
.02 .08 .07 .06 .05 .02 .04 .03 .03 .03
[1] 2nn7.b .04 .04 .04 .04 .04 .08 .06 .03 .04 .03 .04 .04 .02
0
.10 .05 .04 .04 .02 .04 .02 .04 .04
[1] 3lxe.a .08 .08 .09 .07 .09 .06 .07 .10 .10 .09 .10 .07 .08 .10
0
.13 .13 .10 .09 .07 .08 .09 .10
[1] 3w6h.a .04 .05 .04 .05 .05 .10 .07 .06 .04 .04 .05 .07 .07 .05 .13
0
.02 .05 .06 .07 .04 .06 .06
[1] 3w6h.b .05 .05 .05 .06 .05 .09 .08 .05 .04 .04 .06 .07 .06 .04 .13 .02
0
.04 .06 .07 .05 .06 .05
[1] 3w6i.a .03 .04 .03 .04 .03 .06 .06 .04 .03 .02 .03 .05 .05 .04 .10 .05 .04
0
.03 .04 .02 .05 .06
[1] 4wr7.a .03 .04 .04 .04 .03 .07 .06 .03 .04 .03 .04 .02 .02 .02 .09 .06 .06 .03
0
.02 .02 .03 .05
[1] 4wup.a .03 .03 .04 .03 .04 .06 .04 .04 .05 .03 .04 .03 .04 .04 .07 .07 .07 .04 .02
0
.03 .05 .07
[1] 4wuq.a .02 .02 .03 .03 .01 .07 .05 .04 .03 .02 .04 .03 .03 .02 .08 .04 .05 .02 .02 .03
0
.04 .04
[1] 5e2m.b .04 .04 .05 .04 .03 .09 .08 .05 .04 .03 .05 .03 .03 .04 .09 .06 .06 .05 .03 .05 .04
0
.04
[1] 5gmm.a .04 .04 .05 .04 .03 .10 .08 .05 .05 .04 .06 .04 .03 .04 .10 .06 .05 .06 .05 .07 .04 .04
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 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
1azm.a
1bzm.a
1crm.a
1czm.a
1hug.a
1j9w.a
1jv0.a
2foy.a
2fw4.b
2it4.a
2it4.b
2nmx.a
2nn1.a
2nn7.b
3lxe.a
3w6h.a
3w6h.b
3w6i.a
4wr7.a
4wup.a
4wuq.a
5e2m.b
5gmm.a
[1] 1azm.a
0
0.2 0.2 0.4 0.2 0.4 0.3 0.4 0.4 0.4 0.4 0.7 0.8 0.3 0.6 0.4 0.4 0.5 0.8 0.4 0.7 0.3 0.3
[1] 1bzm.a 0.2
0
0.2 0.4 0.2 0.4 0.3 0.4 0.4 0.4 0.4 0.8 0.8 0.3 0.6 0.4 0.4 0.5 0.8 0.4 0.7 0.3 0.3
[1] 1crm.a 0.2 0.2
0
0.2 0.2 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.3 0.6 0.4 0.4 0.5 0.4 0.4 0.4 0.3 0.3
[1] 1czm.a 0.4 0.4 0.2
0
0.2 0.4 0.3 0.4 0.4 0.4 0.4 0.6 0.6 0.3 0.6 0.4 0.4 0.5 0.6 0.4 0.6 0.3 0.3
[1] 1hug.a 0.2 0.2 0.2 0.2
0
0.4 0.3 0.4 0.4 0.4 0.4 0.3 0.3 0.3 0.6 0.5 0.5 0.5 0.3 0.4 0.3 0.3 0.3
[1] 1j9w.a 0.4 0.4 0.4 0.4 0.4
0
0.2 0.4 0.3 0.3 0.4 0.3 0.3 0.3 0.5 0.4 0.4 0.4 0.3 0.3 0.3 0.4 0.4
[1] 1jv0.a 0.3 0.3 0.4 0.3 0.3 0.2
0
0.2 0.3 0.3 0.4 0.3 0.2 0.3 0.4 0.4 0.4 0.4 0.2 0.2 0.2 0.3 0.3
[1] 2foy.a 0.4 0.4 0.4 0.4 0.4 0.4 0.2
0
0.5 0.4 0.5 0.3 0.3 0.3 0.4 0.4 0.4 0.4 0.3 0.2 0.3 0.4 0.4
[1] 2fw4.b 0.4 0.4 0.4 0.4 0.4 0.3 0.3 0.5
0
0.2 0.3 0.3 0.3 0.2 0.5 0.4 0.4 0.3 0.3 0.4 0.3 0.3 0.4
[1] 2it4.a 0.4 0.4 0.4 0.4 0.4 0.3 0.3 0.4 0.2
0
0.3 0.2 0.2 0.2 0.4 0.4 0.4 0.3 0.2 0.3 0.3 0.3 0.4
[1] 2it4.b 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.5 0.3 0.3
0
0.3 0.3 0.3 0.5 0.5 0.5 0.3 0.3 0.4 0.4 0.3 0.4
[1] 2nmx.a 0.7 0.8 0.4 0.6 0.3 0.3 0.3 0.3 0.3 0.2 0.3
0
0.1 0.2 0.4 0.4 0.4 0.3 0.2 0.2 0.3 0.3 0.4
[1] 2nn1.a 0.8 0.8 0.4 0.6 0.3 0.3 0.2 0.3 0.3 0.2 0.3 0.1
0
0.2 0.3 0.4 0.4 0.3 0.1 0.2 0.3 0.3 0.4
[1] 2nn7.b 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.2 0.2 0.3 0.2 0.2
0
0.4 0.3 0.3 0.3 0.2 0.3 0.3 0.3 0.3
[1] 3lxe.a 0.6 0.6 0.6 0.6 0.6 0.5 0.4 0.4 0.5 0.4 0.5 0.4 0.3 0.4
0
0.6 0.6 0.4 0.4 0.3 0.4 0.5 0.6
[1] 3w6h.a 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.3 0.6
0
0.1 0.5 0.4 0.4 0.4 0.4 0.3
[1] 3w6h.b 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.3 0.6 0.1
0
0.5 0.4 0.4 0.4 0.4 0.3
[1] 3w6i.a 0.5 0.5 0.5 0.5 0.5 0.4 0.4 0.4 0.3 0.3 0.3 0.3 0.3 0.3 0.4 0.5 0.5
0
0.3 0.3 0.4 0.5 0.5
[1] 4wr7.a 0.8 0.8 0.4 0.6 0.3 0.3 0.2 0.3 0.3 0.2 0.3 0.2 0.1 0.2 0.4 0.4 0.4 0.3
0
0.2 0.2 0.3 0.4
[1] 4wup.a 0.4 0.4 0.4 0.4 0.4 0.3 0.2 0.2 0.4 0.3 0.4 0.2 0.2 0.3 0.3 0.4 0.4 0.3 0.2
0
0.2 0.4 0.4
[1] 4wuq.a 0.7 0.7 0.4 0.6 0.3 0.3 0.2 0.3 0.3 0.3 0.4 0.3 0.3 0.3 0.4 0.4 0.4 0.4 0.2 0.2
0
0.3 0.4
[1] 5e2m.b 0.3 0.3 0.3 0.3 0.3 0.4 0.3 0.4 0.3 0.3 0.3 0.3 0.3 0.3 0.5 0.4 0.4 0.5 0.3 0.4 0.3
0
0.3
[1] 5gmm.a 0.3 0.3 0.3 0.3 0.3 0.4 0.3 0.4 0.4 0.4 0.4 0.4 0.4 0.3 0.6 0.3 0.3 0.5 0.4 0.4 0.4 0.3
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
1azm.a
1bzm.a
1crm.a
1czm.a
1hug.a
1j9w.a
1jv0.a
2foy.a
2fw4.b
2it4.a
2it4.b
2nmx.a
2nn1.a
2nn7.b
3lxe.a
3w6h.a
3w6h.b
3w6i.a
4wr7.a
4wup.a
4wuq.a
5e2m.b
5gmm.a
[1] 1azm.a
0
0.9 0.8 0.9 0.9 1.0 1.0 1.0 0.9 1.0 1.0 1.2 1.1 0.9 1.2 0.7 0.7 0.9 1.1 1.0 1.2 0.9 0.9
[1] 1bzm.a 0.9
0
0.7 1.1 1.0 0.6 0.6 0.7 0.6 0.6 0.6 0.9 0.9 0.7 1.1 0.8 0.8 0.7 0.9 0.6 1.2 0.6 1.0
[1] 1crm.a 0.8 0.7
0
0.9 0.8 0.8 0.8 0.8 0.8 0.7 0.8 0.7 0.8 0.7 1.1 0.6 0.7 0.8 0.7 0.7 0.9 0.6 1.0
[1] 1czm.a 0.9 1.1 0.9
0
0.5 1.2 1.1 1.2 1.1 1.1 1.1 1.3 1.3 1.1 1.4 0.9 0.9 1.1 1.3 1.1 0.8 1.1 0.7
[1] 1hug.a 0.9 1.0 0.8 0.5
0
1.1 1.1 1.1 1.1 1.0 1.1 1.1 1.1 1.0 1.3 0.9 0.9 1.1 1.0 1.0 0.5 0.9 0.6
[1] 1j9w.a 1.0 0.6 0.8 1.2 1.1
0
0.7 0.7 0.5 0.5 0.6 0.5 0.6 0.6 0.9 0.7 0.7 0.7 0.5 0.6 1.1 0.7 1.1
[1] 1jv0.a 1.0 0.6 0.8 1.1 1.1 0.7
0
0.6 0.5 0.5 0.6 0.5 0.5 0.6 0.8 0.7 0.7 0.7 0.5 0.5 1.1 0.7 1.1
[1] 2foy.a 1.0 0.7 0.8 1.2 1.1 0.7 0.6
0
0.7 0.7 0.8 0.4 0.4 0.6 0.9 0.8 0.8 0.8 0.4 0.5 1.1 0.7 1.2
[1] 2fw4.b 0.9 0.6 0.8 1.1 1.1 0.5 0.5 0.7
0
0.4 0.4 0.6 0.6 0.6 1.0 0.7 0.7 0.6 0.6 0.6 1.1 0.6 1.1
[1] 2it4.a 1.0 0.6 0.7 1.1 1.0 0.5 0.5 0.7 0.4
0
0.4 0.6 0.6 0.6 0.9 0.7 0.7 0.6 0.5 0.5 1.0 0.6 1.1
[1] 2it4.b 1.0 0.6 0.8 1.1 1.1 0.6 0.6 0.8 0.4 0.4
0
0.6 0.7 0.6 0.9 0.8 0.8 0.6 0.6 0.6 1.1 0.6 1.1
[1] 2nmx.a 1.2 0.9 0.7 1.3 1.1 0.5 0.5 0.4 0.6 0.6 0.6
0
0.2 0.4 0.9 0.8 0.8 0.6 0.3 0.4 1.0 0.5 1.2
[1] 2nn1.a 1.1 0.9 0.8 1.3 1.1 0.6 0.5 0.4 0.6 0.6 0.7 0.2
0
0.4 0.9 0.8 0.8 0.7 0.3 0.4 1.0 0.5 1.2
[1] 2nn7.b 0.9 0.7 0.7 1.1 1.0 0.6 0.6 0.6 0.6 0.6 0.6 0.4 0.4
0
0.9 0.7 0.7 0.7 0.4 0.5 1.0 0.4 1.1
[1] 3lxe.a 1.2 1.1 1.1 1.4 1.3 0.9 0.8 0.9 1.0 0.9 0.9 0.9 0.9 0.9
0
1.1 1.1 1.0 0.9 0.8 1.3 1.0 1.4
[1] 3w6h.a 0.7 0.8 0.6 0.9 0.9 0.7 0.7 0.8 0.7 0.7 0.8 0.8 0.8 0.7 1.1
0
0.1 0.7 0.8 0.8 1.0 0.7 0.9
[1] 3w6h.b 0.7 0.8 0.7 0.9 0.9 0.7 0.7 0.8 0.7 0.7 0.8 0.8 0.8 0.7 1.1 0.1
0
0.7 0.8 0.8 0.9 0.7 0.9
[1] 3w6i.a 0.9 0.7 0.8 1.1 1.1 0.7 0.7 0.8 0.6 0.6 0.6 0.6 0.7 0.7 1.0 0.7 0.7
0
0.7 0.6 1.0 0.8 1.2
[1] 4wr7.a 1.1 0.9 0.7 1.3 1.0 0.5 0.5 0.4 0.6 0.5 0.6 0.3 0.3 0.4 0.9 0.8 0.8 0.7
0
0.3 1.0 0.5 1.1
[1] 4wup.a 1.0 0.6 0.7 1.1 1.0 0.6 0.5 0.5 0.6 0.5 0.6 0.4 0.4 0.5 0.8 0.8 0.8 0.6 0.3
0
0.9 0.6 1.1
[1] 4wuq.a 1.2 1.2 0.9 0.8 0.5 1.1 1.1 1.1 1.1 1.0 1.1 1.0 1.0 1.0 1.3 1.0 0.9 1.0 1.0 0.9
0
1.0 0.7
[1] 5e2m.b 0.9 0.6 0.6 1.1 0.9 0.7 0.7 0.7 0.6 0.6 0.6 0.5 0.5 0.4 1.0 0.7 0.7 0.8 0.5 0.6 1.0
0
1.0
[1] 5gmm.a 0.9 1.0 1.0 0.7 0.6 1.1 1.1 1.2 1.1 1.1 1.1 1.2 1.2 1.1 1.4 0.9 0.9 1.2 1.1 1.1 0.7 1.0
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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