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AROQ_MYCTU_1_147

3-dehydroquinate dehydratase [Type-II 3-dehydroquinase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (AROQ_MYCTU):R: Substrate binding (103, 104)
12:14, 16:22, 24, 25, 76:79, 81, 82, 102, 106, 109, 110, 113
12:14, 16:22, 24, 25, 76:79, 81, 82, 102:104, 106, 109, 110, 113

Full PDB list

1h05, 1h0r, 1h0s, 2dhq, 2xb8, 2y71, 2y76, 2y77, 3n59, 3n76, 3n7a, 3n86, 3n87, 3n8k, 3n8n, 4b6o, 4b6p, 4b6q, 4civ, 4ciw, 4cix, 4ciy, 4ckw, 4ckx, 4cky, 4ckz, 4cl0, 4ki7, 4kij, 4kiu, 4kiw, 4v0s (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
P
1
2
N
1
3
L
1
4
R
1
6
L
1
7
R
1
9
R
2
0
E
2
1
Y
2
5
N
7
6
G
7
8
G
7
9
H
8
2
H
1
0
2
I
1
0
3
S
1
0
4
V
1
0
6
R
1
0
9
R
1
1
3
[1]1h0s.a fa614 . . . . . . . - - . . . . . . . . . .
[1]2xb8.a xnw22 . . . . . . . . . . . . . . . . . . .
[1]2y71.a cb624 . . . . . - - - . . . . . . . . . . .
[1]2y76.a cb733 . . . . . . - - - . . . . . . . . . .
[1]2y77.a cb829 . . . . . . - - - . . . . . . . . . .
[1]3n76.a ca222 . . . . . . . . . . . . . . . . . . .
[1]3n7a.a fa112 . . . . . . . . . . . . . . . . . . .
[1]3n86.a rjp23 . . . . . . . . . . . . . . . . . . .
[1]3n87.a n8726 . . . . . . . . . . . . . . . . . . .
[1]3n8n.a n8819 . . . . . . . . - . . . . . . . . . .
[1]4b6o.a 3dq22 . . . . . . . . . . . . . . . . . . .
[1]4b6q.a bz523 . . . . . . - - - . . . . . . . . . .
[1]4civ.a 48p14 . . . . . . . - - . . . . . . . . . .
[1]4ciw.a xh215 . . . . . . . . . . . . . . . . . . .
[1]4cix.a w4n21 . . . . . . - - - . . . . . . . . . .
[1]4ciy.a ndy21 . . . . . . - - . . . . . . . . . . .
[1]4ckx.a none . S . . . . - - - . . . . . . . . . .
[1]4cky.a nd315 . . . . . . - - - . . . . . . . . . .
[1]4ckz.b none . . . . . - - - . . . . . . . . . - .
[1]4ki7.d 1r220 . . . . . . . . . . . . . . . . . . .
[1]4kij.a kij21 . . . . . . . . . . . . . . . . . . .
[1]4kiu.b kiu23 . . . . . . . . . . . . . . . . . . .
[1]4kiw.b kiw23 . . . . . . . . . . . . . . . . . . .
[2]3n59.c 3ds12 . . . . . . . . . . . . . . . . . . .
[2]3n8k.a d1x11 . . . . . . . . . . . . . . . . . . .
[2]4cl0.a 9py14 . . . . . . . . . . . . . . . . . . .
[2]4v0s.b 2hn25 . . . . . . . . . . . . . . . . . . .

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
P
1
2
N
1
3
L
1
4
R
1
6
L
1
7
G
1
8
R
1
9
R
2
0
E
2
1
P
2
2
V
2
4
Y
2
5
N
7
6
A
7
7
G
7
8
G
7
9
T
8
1
H
8
2
H
1
0
2
I
1
0
3
S
1
0
4
V
1
0
6
R
1
0
9
E
1
1
0
R
1
1
3
[1]1h0s.a . . . . . . . * - - - - . . . . . . . . . . . . .
[1]2xb8.a . . . . . . . . . . . * . . . . . . . . . . . . .
[1]2y71.a . . . . . . - - - . . * . . . . . . . . . . . . .
[1]2y76.a . . . . . . . - - - - - . . . . . . . . . . . . .
[1]2y77.a . . . . . . . - - - - - . . . . . . . . . . . . .
[1]3n76.a . . . . . . . . * . . * . . . . . . . . . . . . .
[1]3n7a.a . . . . . . . . . . . * . . . . . . . . . . . . .
[1]3n86.a . . . . . . . . * . . * . . . . . . . . . . . . .
[1]3n87.a . . . . . . . . . . . * . . . . . . . . . . . . .
[1]3n8n.a . . . . . . . . * . - - . . . . . . . . . . . . .
[1]4b6o.a . . . . . . . * . . . * . . . . . . . . . . . . .
[1]4b6q.a . . . . . . . - - - - - . . . . . . . . . . . . .
[1]4civ.a . . . . . . . * - - - - . . . . . . . . . . . . .
[1]4ciw.a . . . . . . . * . . . * . . . . . . . . . . . . .
[1]4cix.a . . . . . . * - - - - - . . . . . . . . . . . . .
[1]4ciy.a . . . . . . . - - - - * . . . . . . . . . . . . .
[1]4ckx.a . S . . . . . - - - - - . . . . . . . . . . . . .
[1]4cky.a . . . . . . . - - - - - . . . . . . . . . . . . .
[1]4ckz.b . . . . * . - - - - - * . . . . . . . . . . - - .
[1]4ki7.d . . . . . . . * . . . * . . . . . . . . . . . . .
[1]4kij.a . . . . . A . . * . . * . . . . . . . . . . . . .
[1]4kiu.b . . . . . . . . * . . * . . . . . . . . . . . . .
[1]4kiw.b . . . . . . . . * . . * . . . . . . . . . . . . .
[2]3n59.c . . . . . . . * * . . * . . . . . . . . . . . . .
[2]3n8k.a . . . . . . . * * . . * . . . . . . . . . . . . .
[2]4cl0.a . . . . . . . * . . . * . . . . . . . . . . . . .
[2]4v0s.b . . . . . . . * . . . * . . . . . . . . . . . . .

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

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1h0s.a:fa6
2xb8.a:xnw
2y71.a:cb6
2y76.a:cb7
2y77.a:cb8
3n76.a:ca2
3n7a.a:fa1
3n86.a:rjp
3n87.a:n87
3n8n.a:n88
4b6o.a:3dq
4b6q.a:bz5
4civ.a:48p
4ciw.a:xh2
4cix.a:w4n
4ciy.a:ndy
4ckx.a is apo
4cky.a:nd3
4ckz.b is apo
4ki7.d:1r2
4kij.a:kij
4kiu.b:kiu
4kiw.b:kiw
3n59.c:3ds
3n8k.a:d1x
4cl0.a:9py
4v0s.b:2hn
[1] 1h0s.a
0
4.3 4.0 3.8 3.5 3.3 0.2 3.1 2.0 2.3 2.4 3.5 0.5 1.2 2.5 3.0 - 0 - 2.9 3.3 4.2 4.1 0 0 0.1 3.8
[1] 2xb8.a 0
0
0.2 1.9 3.4 0.3 0.1 0.4 0.3 1.2 0.6 1.7 0.4 0.1 2.3 0.1 - 0.5 - 0 0 0 0.5 0 0 0.1 0.8
[1] 2y71.a 0 0.3
0
2.3 3.7 0.1 0 0.4 0.3 1.6 1.1 2.3 0.5 0 3.3 0.3 - 1.0 - 0.1 0 0 0.6 0 0 0 1.8
[1] 2y76.a 0 0 0.1
0.1
0 0.2 0.2 0.4 0.2 0 0 0 0.2 0.1 0 0 - 0 - 0 0 0 0.6 0 0 0.1 0.1
[1] 2y77.a 0 0 0.1 0.1
0
0.3 0.2 0.4 0.2 0 0 0 0.3 0.1 0.1 0.1 - 0 - 0.1 0 0 0.6 0 0 0.1 0.1
[1] 3n76.a 0 0.5 0.3 4.2 4.3
0.1
0 0.1 2.6 1.6 1.5 2.5 0.5 0 3.2 0.3 - 1.1 - 0.2 0 0.4 0.3 0 0 0.1 1.4
[1] 3n7a.a 0 0.4 0 2.8 3.8 0.1
0
0.2 0.2 1.3 1.5 2.6 0.5 0 3.5 0.2 - 1.3 - 0.1 0 0 0.6 0 0 0 1.4
[1] 3n86.a 0.1 0.8 0.6 4.2 4.8 0.2 0
0
3.1 1.8 1.7 2.9 0.6 0 3.5 0.3 - 1.5 - 0.4 0.1 0.7 0.5 0 0 0.2 2.4
[1] 3n87.a 0 0.2 0 1.7 3.4 0 0 0
0
0.5 0.5 1.7 0.3 0 2.2 0 - 0.6 - 0.1 0 0 0.5 0 0 0 0.8
[1] 3n8n.a 0 0.1 0.5 0.6 0.8 0.2 0.1 0.3 0.9
0
0 0.4 0.2 0 0.1 0 - 0 - 0 0 0.4 0.4 0.1 0 0 0.4
[1] 4b6o.a 0.1 0.1 0.3 1.4 1.8 0.4 0.3 0.5 1.6 0.1
0
0.7 0.2 0.3 0.6 0.1 - 0.2 - 0.1 0 0 0.7 0.1 0 0.2 0.2
[1] 4b6q.a 0 0 0.1 0.1 0 0.2 0.2 0.5 0.2 0 0
0
0.2 0.1 0.1 0 - 0 - 0.1 0 0 0.7 0 0 0.1 0.2
[1] 4civ.a 0 3.2 2.7 3.8 3.2 2.7 0.1 2.0 1.3 1.2 1.1 4.1
0.3
0.2 2.0 1.4 - 0.2 - 2.2 2.2 2.6 2.9 0 0 0.2 2.9
[1] 4ciw.a 0 0.4 0.1 3.0 4.1 0.3 0 0.6 2.6 1.7 1.3 2.1 0.5
0
3.2 0.5 - 1.0 - 0.2 0 0 0.7 0 0 0.1 1.9
[1] 4cix.a 0 1.5 2.5 1.8 0.8 2.4 0.1 1.6 2.8 0.7 1.1 0.6 0.2 0.1
0
1.4 - 0.1 - 1.1 1.3 2.4 2.2 0 0 0.1 1.1
[1] 4ciy.a 0 0.5 0.2 2.9 4.4 0.3 0.2 0.5 0.5 1.1 0.9 3.0 0.6 0.2 3.2
0.1
- 1.1 - 0.2 0 0 0.8 0 0 0.1 1.6
[1] 4ckx.a 0 0 0 0 0 0 0.1 0.1 0 0 0 0 0.1 0 0 0
-
0 - 0 0 0 0.3 0 0 0.1 0.2
[1] 4cky.a 0 0 0.1 0.1 0 0.2 0.1 0.4 0.2 0 0 0 0.2 0.1 0.1 0 -
0
- 0 0 0 0.3 0 0 0.1 0.1
[1] 4ckz.b 0.4 0.8 0.8 2.4 4.2 1.4 0.6 1.0 0.6 0.8 0.4 2.5 0.7 0.5 2.8 0.5 - 0.9
-
0.8 0.9 0.7 1.4 0.5 0.3 0.7 1.8
[1] 4ki7.d 0 0.1 0.9 1.9 3.3 0.7 0.2 0.6 1.0 0.6 0.3 1.5 0.3 0.2 2.1 0.1 - 0.6 -
0
0 0.6 0.9 0 0 0.1 0.7
[1] 4kij.a 0 0.3 0.2 3.1 5.8 0.2 0.1 0.4 0.4 1.5 1.3 3.6 0.4 0 3.0 0.3 - 1.0 - 0.1
0
0.2 0.7 0 0.1 0.2 1.6
[1] 4kiu.b 0 0 0 2.2 3.7 0.3 0 0.3 0.8 0.7 0.7 1.9 0.2 0 2.2 0.1 - 0.7 - 0 0
0
0.6 0 0 0.1 0.7
[1] 4kiw.b 0 0.6 0.7 3.6 3.9 0.1 0 0.1 2.1 1.2 1.0 2.8 0.4 0 3.4 0.1 - 1.1 - 0 0 0.2
0
0 0 0.1 1.2
[2] 3n59.c 0.3 4.6 6.0 6.5 7.3 4.5 0 4.2 6.2 3.8 4.3 4.5 1.5 2.0 4.4 3.9 - 1.0 - 4.1 4.6 4.9 4.9
0
0.1 0.1 4.3
[2] 3n8k.a 0.1 4.4 5.5 6.6 6.9 4.9 0.2 4.6 6.8 4.1 4.8 3.9 1.2 2.0 4.3 4.1 - 1.2 - 3.4 4.6 4.9 5.0 0
0
0.1 4.7
[2] 4cl0.a 0.1 3.3 5.2 5.0 6.7 4.4 0.1 3.9 4.1 4.1 4.4 4.4 1.0 1.4 3.2 3.9 - 0.8 - 3.5 4.3 4.7 5.0 0 0.1
0.1
4.0
[2] 4v0s.b 0 0.4 3.3 3.6 2.7 1.5 0.2 3.2 1.9 0.7 1.1 1.2 0.3 0.2 1.1 0.3 - 0 - 0.3 0.6 2.1 0.5 0 0 0.2
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 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
1h0s.a
2xb8.a
2y71.a
2y76.a
2y77.a
3n76.a
3n7a.a
3n86.a
3n87.a
3n8n.a
4b6o.a
4b6q.a
4civ.a
4ciw.a
4cix.a
4ciy.a
4ckx.a
4cky.a
4ckz.b
4ki7.d
4kij.a
4kiu.b
4kiw.b
3n59.c
3n8k.a
4cl0.a
4v0s.b
[1] 1h0s.a
0
.27 .30 .16 .16 .40 .30 .41 .30 .19 .17 .16 .03 .24 .27 .31 .17 .17 .33 .27 .35 .31 .37 .26 .25 .20 .22
[1] 2xb8.a .27
0
.02 .13 .13 .14 .03 .16 .03 .18 .11 .13 .29 .10 .24 .04 .14 .14 .07 .05 .09 .04 .14 .29 .28 .22 .22
[1] 2y71.a .30 .02
0
.15 .15 .15 .03 .17 .03 .19 .13 .15 .30 .10 .26 .04 .16 .16 .06 .06 .09 .05 .14 .30 .28 .21 .25
[1] 2y76.a .16 .13 .15
0
0 .26 .15 .29 .15 .06 .11 .01 .17 .23 .11 .16 .02 .01 .18 .16 .22 .17 .26 .42 .41 .35 .28
[1] 2y77.a .16 .13 .15 0
0
.26 .15 .29 .15 .06 .11 .01 .17 .23 .11 .16 .02 .01 .18 .16 .22 .17 .26 .42 .41 .35 .28
[1] 3n76.a .40 .14 .15 .26 .26
0
.12 .03 .15 .23 .24 .27 .39 .18 .36 .13 .26 .25 .20 .16 .05 .11 .05 .26 .26 .30 .28
[1] 3n7a.a .30 .03 .03 .15 .15 .12
0
.15 .05 .21 .14 .15 .32 .11 .26 .04 .17 .16 .09 .08 .09 .05 .12 .29 .28 .23 .24
[1] 3n86.a .41 .16 .17 .29 .29 .03 .15
0
.16 .24 .25 .29 .41 .19 .39 .14 .27 .28 .23 .18 .08 .14 .07 .28 .27 .32 .30
[1] 3n87.a .30 .03 .03 .15 .15 .15 .05 .16
0
.19 .14 .15 .29 .13 .25 .06 .14 .15 .08 .07 .12 .06 .14 .31 .30 .22 .24
[1] 3n8n.a .19 .18 .19 .06 .06 .23 .21 .24 .19
0
.14 .06 .17 .26 .16 .22 .06 .05 .22 .17 .20 .18 .21 .38 .37 .35 .26
[1] 4b6o.a .17 .11 .13 .11 .11 .24 .14 .25 .14 .14
0
.10 .19 .13 .21 .14 .12 .12 .17 .10 .19 .15 .21 .32 .31 .25 .19
[1] 4b6q.a .16 .13 .15 .01 .01 .27 .15 .29 .15 .06 .10
0
.17 .23 .11 .15 .02 .02 .18 .16 .22 .17 .26 .42 .41 .35 .29
[1] 4civ.a .03 .29 .30 .17 .17 .39 .32 .41 .29 .17 .19 .17
0
.25 .26 .33 .16 .17 .33 .27 .37 .32 .36 .28 .26 .19 .21
[1] 4ciw.a .24 .10 .10 .23 .23 .18 .11 .19 .13 .26 .13 .23 .25
0
.34 .09 .24 .24 .15 .10 .13 .12 .17 .24 .22 .16 .19
[1] 4cix.a .27 .24 .26 .11 .11 .36 .26 .39 .25 .16 .21 .11 .26 .34
0
.26 .12 .11 .29 .27 .33 .27 .35 .52 .50 .44 .36
[1] 4ciy.a .31 .04 .04 .16 .16 .13 .04 .14 .06 .22 .14 .15 .33 .09 .26
0
.18 .17 .10 .09 .08 .07 .15 .31 .30 .24 .26
[1] 4ckx.a .17 .14 .16 .02 .02 .26 .17 .27 .14 .06 .12 .02 .16 .24 .12 .18
0
.01 .20 .18 .23 .18 .25 .42 .42 .35 .28
[1] 4cky.a .17 .14 .16 .01 .01 .25 .16 .28 .15 .05 .12 .02 .17 .24 .11 .17 .01
0
.19 .17 .23 .18 .25 .42 .42 .35 .27
[1] 4ckz.b .33 .07 .06 .18 .18 .20 .09 .23 .08 .22 .17 .18 .33 .15 .29 .10 .20 .19
0
.09 .15 .10 .20 .35 .33 .27 .27
[1] 4ki7.d .27 .05 .06 .16 .16 .16 .08 .18 .07 .17 .10 .16 .27 .10 .27 .09 .18 .17 .09
0
.11 .07 .13 .29 .27 .21 .20
[1] 4kij.a .35 .09 .09 .22 .22 .05 .09 .08 .12 .20 .19 .22 .37 .13 .33 .08 .23 .23 .15 .11
0
.08 .07 .23 .22 .28 .26
[1] 4kiu.b .31 .04 .05 .17 .17 .11 .05 .14 .06 .18 .15 .17 .32 .12 .27 .07 .18 .18 .10 .07 .08
0
.11 .28 .26 .22 .22
[1] 4kiw.b .37 .14 .14 .26 .26 .05 .12 .07 .14 .21 .21 .26 .36 .17 .35 .15 .25 .25 .20 .13 .07 .11
0
.23 .24 .28 .24
[2] 3n59.c .26 .29 .30 .42 .42 .26 .29 .28 .31 .38 .32 .42 .28 .24 .52 .31 .42 .42 .35 .29 .23 .28 .23
0
.05 .11 .25
[2] 3n8k.a .25 .28 .28 .41 .41 .26 .28 .27 .30 .37 .31 .41 .26 .22 .50 .30 .42 .42 .33 .27 .22 .26 .24 .05
0
.09 .24
[2] 4cl0.a .20 .22 .21 .35 .35 .30 .23 .32 .22 .35 .25 .35 .19 .16 .44 .24 .35 .35 .27 .21 .28 .22 .28 .11 .09
0
.20
[2] 4v0s.b .22 .22 .25 .28 .28 .28 .24 .30 .24 .26 .19 .29 .21 .19 .36 .26 .28 .27 .27 .20 .26 .22 .24 .25 .24 .20
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.1 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
1h0s.a
2xb8.a
2y71.a
2y76.a
2y77.a
3n76.a
3n7a.a
3n86.a
3n87.a
3n8n.a
4b6o.a
4b6q.a
4civ.a
4ciw.a
4cix.a
4ciy.a
4ckx.a
4cky.a
4ckz.b
4ki7.d
4kij.a
4kiu.b
4kiw.b
3n59.c
3n8k.a
4cl0.a
4v0s.b
[1] 1h0s.a
0
0.8 0.3 0.3 0.5 1.0 0.8 1.0 0.7 0.8 0.9 0.4 0.6 0.7 0.6 0.5 0.5 0.3 0.9 0.8 1.0 0.6 1.1 0.5 0.5 0.6 1.8
[1] 2xb8.a 0.8
0
0.3 0.6 0.5 0.4 0.8 0.6 0.8 0.8 1.8 0.5 0.9 1.1 0.7 0.8 0.7 0.5 1.1 0.9 0.6 0.7 0.8 0.9 1.0 0.8 1.7
[1] 2y71.a 0.3 0.3
0
0.4 0.4 0.4 0.6 0.5 0.6 0.8 1.6 0.3 0.5 0.6 0.4 0.6 0.5 0.3 1.0 0.8 0.3 0.5 0.6 0.4 0.5 0.5 1.8
[1] 2y76.a 0.3 0.6 0.4
0
0.3 0.7 0.6 0.7 0.5 0.4 0.4 0.2 0.7 0.5 0.6 0.5 0.6 0.4 1.0 0.7 0.6 0.5 0.7 0.6 0.6 0.6 1.8
[1] 2y77.a 0.5 0.5 0.4 0.3
0
0.6 0.7 0.6 0.6 0.4 0.2 0.2 0.7 0.7 0.6 0.6 0.6 0.4 1.0 0.7 0.5 0.5 0.6 0.7 0.7 0.6 1.7
[1] 3n76.a 1.0 0.4 0.4 0.7 0.6
0
0.8 0.3 1.0 1.0 1.9 0.6 1.0 1.2 0.8 0.8 0.8 0.7 1.2 1.0 0.6 0.8 0.8 1.0 1.1 0.9 1.7
[1] 3n7a.a 0.8 0.8 0.6 0.6 0.7 0.8
0
1.0 0.6 1.1 2.1 0.6 0.9 0.9 0.7 0.7 0.6 0.5 1.1 1.0 1.1 0.6 1.2 0.9 1.1 0.9 1.9
[1] 3n86.a 1.0 0.6 0.5 0.7 0.6 0.3 1.0
0
1.1 1.1 2.0 0.6 1.0 1.4 0.8 0.8 0.8 0.6 1.2 1.1 0.6 1.0 0.8 1.0 1.1 0.9 1.8
[1] 3n87.a 0.7 0.8 0.6 0.5 0.6 1.0 0.6 1.1
0
1.0 1.9 0.5 0.8 0.7 0.6 0.6 0.5 0.3 1.0 0.9 1.1 0.6 1.2 0.9 1.0 0.9 1.8
[1] 3n8n.a 0.8 0.8 0.8 0.4 0.4 1.0 1.1 1.1 1.0
0
0.9 0.4 0.9 1.2 0.6 0.6 0.6 0.4 1.1 1.1 0.9 1.0 1.0 1.2 1.3 1.2 1.8
[1] 4b6o.a 0.9 1.8 1.6 0.4 0.2 1.9 2.1 2.0 1.9 0.9
0
0.3 1.0 2.0 0.6 0.7 0.6 0.4 1.2 2.0 1.8 2.0 1.9 2.2 2.2 2.1 2.2
[1] 4b6q.a 0.4 0.5 0.3 0.2 0.2 0.6 0.6 0.6 0.5 0.4 0.3
0
0.6 0.6 0.6 0.5 0.5 0.3 1.0 0.6 0.5 0.4 0.6 0.6 0.6 0.6 1.7
[1] 4civ.a 0.6 0.9 0.5 0.7 0.7 1.0 0.9 1.0 0.8 0.9 1.0 0.6
0
0.8 0.6 0.4 0.5 0.5 0.9 0.7 0.9 0.7 1.1 0.5 0.5 0.6 1.8
[1] 4ciw.a 0.7 1.1 0.6 0.5 0.7 1.2 0.9 1.4 0.7 1.2 2.0 0.6 0.8
0
0.6 0.7 0.5 0.3 0.9 1.2 1.4 0.8 1.6 1.0 1.0 0.9 2.0
[1] 4cix.a 0.6 0.7 0.4 0.6 0.6 0.8 0.7 0.8 0.6 0.6 0.6 0.6 0.6 0.6
0
0.6 0.6 0.5 0.9 0.6 0.7 0.5 0.8 0.7 0.7 0.7 1.8
[1] 4ciy.a 0.5 0.8 0.6 0.5 0.6 0.8 0.7 0.8 0.6 0.6 0.7 0.5 0.4 0.7 0.6
0
0.4 0.3 1.1 0.7 0.8 0.7 0.9 0.6 0.6 0.6 1.8
[1] 4ckx.a 0.5 0.7 0.5 0.6 0.6 0.8 0.6 0.8 0.5 0.6 0.6 0.5 0.5 0.5 0.6 0.4
0
0.4 0.9 0.6 0.7 0.5 0.7 0.5 0.5 0.5 1.8
[1] 4cky.a 0.3 0.5 0.3 0.4 0.4 0.7 0.5 0.6 0.3 0.4 0.4 0.3 0.5 0.3 0.5 0.3 0.4
0
0.9 0.5 0.6 0.3 0.7 0.4 0.4 0.4 1.7
[1] 4ckz.b 0.9 1.1 1.0 1.0 1.0 1.2 1.1 1.2 1.0 1.1 1.2 1.0 0.9 0.9 0.9 1.1 0.9 0.9
0
1.0 1.1 1.0 1.1 1.0 0.9 1.0 1.9
[1] 4ki7.d 0.8 0.9 0.8 0.7 0.7 1.0 1.0 1.1 0.9 1.1 2.0 0.6 0.7 1.2 0.6 0.7 0.6 0.5 1.0
0
1.0 0.8 1.0 0.9 1.0 0.9 1.8
[1] 4kij.a 1.0 0.6 0.3 0.6 0.5 0.6 1.1 0.6 1.1 0.9 1.8 0.5 0.9 1.4 0.7 0.8 0.7 0.6 1.1 1.0
0
1.0 0.7 1.1 1.2 1.1 1.8
[1] 4kiu.b 0.6 0.7 0.5 0.5 0.5 0.8 0.6 1.0 0.6 1.0 2.0 0.4 0.7 0.8 0.5 0.7 0.5 0.3 1.0 0.8 1.0
0
1.1 0.7 0.8 0.7 1.8
[1] 4kiw.b 1.1 0.8 0.6 0.7 0.6 0.8 1.2 0.8 1.2 1.0 1.9 0.6 1.1 1.6 0.8 0.9 0.7 0.7 1.1 1.0 0.7 1.1
0
1.3 1.3 1.2 1.8
[2] 3n59.c 0.5 0.9 0.4 0.6 0.7 1.0 0.9 1.0 0.9 1.2 2.2 0.6 0.5 1.0 0.7 0.6 0.5 0.4 1.0 0.9 1.1 0.7 1.3
0
0.3 0.4 1.8
[2] 3n8k.a 0.5 1.0 0.5 0.6 0.7 1.1 1.1 1.1 1.0 1.3 2.2 0.6 0.5 1.0 0.7 0.6 0.5 0.4 0.9 1.0 1.2 0.8 1.3 0.3
0
0.4 1.8
[2] 4cl0.a 0.6 0.8 0.5 0.6 0.6 0.9 0.9 0.9 0.9 1.2 2.1 0.6 0.6 0.9 0.7 0.6 0.5 0.4 1.0 0.9 1.1 0.7 1.2 0.4 0.4
0
1.8
[2] 4v0s.b 1.8 1.7 1.8 1.8 1.7 1.7 1.9 1.8 1.8 1.8 2.2 1.7 1.8 2.0 1.8 1.8 1.8 1.7 1.9 1.8 1.8 1.8 1.8 1.8 1.8 1.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.7 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
1h0s.a
2xb8.a
2y71.a
2y76.a
2y77.a
3n76.a
3n7a.a
3n86.a
3n87.a
3n8n.a
4b6o.a
4b6q.a
4civ.a
4ciw.a
4cix.a
4ciy.a
4ckx.a
4cky.a
4ckz.b
4ki7.d
4kij.a
4kiu.b
4kiw.b
3n59.c
3n8k.a
4cl0.a
4v0s.b
[1] 1h0s.a
0
2.1 0.3 0.5 0.8 2.1 1.9 2.2 0.7 0.7 1.6 0.6 0.7 1.4 1.7 0.5 0.8 0.6 1.4 2.3 2.1 2.1 1.2 1.2 0.6 0.7 3.2
[1] 2xb8.a 2.1
0
0.4 0.7 0.9 1.1 0.9 1.3 1.0 1.1 2.1 0.7 2.2 1.9 1.9 0.9 0.8 0.7 1.4 1.4 1.4 1.2 1.2 2.3 2.1 1.9 3.1
[1] 2y71.a 0.3 0.4
0
0.3 0.6 0.5 0.7 0.6 0.7 0.7 1.6 0.4 0.5 0.6 0.5 0.7 0.5 0.4 1.4 1.0 0.6 0.7 0.7 0.6 0.6 0.6 3.0
[1] 2y76.a 0.5 0.7 0.3
0
0.8 0.8 0.7 1.1 0.6 0.4 0.7 0.6 0.7 0.7 1.9 0.7 0.7 0.6 1.5 0.8 0.8 0.5 1.0 1.2 0.7 0.6 3.1
[1] 2y77.a 0.8 0.9 0.6 0.8
0
0.9 0.9 1.5 0.9 0.7 0.6 0.5 0.8 0.9 2.0 0.7 1.0 0.8 1.5 1.1 0.8 0.9 1.2 1.6 1.0 0.8 3.1
[1] 3n76.a 2.1 1.1 0.5 0.8 0.9
0
1.0 1.0 1.1 1.0 2.5 0.8 2.2 2.2 1.9 0.8 0.8 0.7 1.5 1.6 1.1 1.1 1.0 2.2 2.1 2.1 3.1
[1] 3n7a.a 1.9 0.9 0.7 0.7 0.9 1.0
0
1.3 0.6 1.1 2.1 0.7 2.0 1.6 1.9 0.7 0.7 0.6 1.4 1.3 1.1 0.9 1.2 2.0 1.9 1.8 3.1
[1] 3n86.a 2.2 1.3 0.6 1.1 1.5 1.0 1.3
0
1.5 1.1 2.6 1.4 2.3 2.3 2.3 1.3 1.0 1.1 1.5 1.6 1.4 1.4 1.1 2.1 2.2 2.0 3.1
[1] 3n87.a 0.7 1.0 0.7 0.6 0.9 1.1 0.6 1.5
0
1.2 2.0 0.7 0.8 1.1 1.8 0.7 0.7 0.6 1.4 1.3 1.5 0.8 1.4 1.4 1.1 1.0 2.9
[1] 3n8n.a 0.7 1.1 0.7 0.4 0.7 1.0 1.1 1.1 1.2
0
1.6 0.5 0.8 1.5 0.7 0.6 0.6 0.5 1.5 1.4 1.0 1.1 1.0 1.3 1.4 1.3 3.0
[1] 4b6o.a 1.6 2.1 1.6 0.7 0.6 2.5 2.1 2.6 2.0 1.6
0
0.3 1.6 1.9 1.9 0.8 0.9 0.7 1.6 2.4 2.5 2.5 2.2 2.9 2.7 2.4 3.3
[1] 4b6q.a 0.6 0.7 0.4 0.6 0.5 0.8 0.7 1.4 0.7 0.5 0.3
0
0.6 0.7 1.9 0.5 0.8 0.6 1.4 0.9 0.7 0.7 1.1 1.5 0.8 0.6 3.1
[1] 4civ.a 0.7 2.2 0.5 0.7 0.8 2.2 2.0 2.3 0.8 0.8 1.6 0.6
0
1.4 1.8 0.5 0.7 0.7 1.4 2.3 2.2 2.2 1.3 1.4 0.9 0.8 3.2
[1] 4ciw.a 1.4 1.9 0.6 0.7 0.9 2.2 1.6 2.3 1.1 1.5 1.9 0.7 1.4
0
1.6 0.7 0.8 0.6 1.4 2.0 2.3 2.0 1.7 2.0 1.8 1.5 3.2
[1] 4cix.a 1.7 1.9 0.5 1.9 2.0 1.9 1.9 2.3 1.8 0.7 1.9 1.9 1.8 1.6
0
1.7 2.0 1.9 1.4 2.0 1.9 2.0 1.9 1.9 1.7 0.7 3.6
[1] 4ciy.a 0.5 0.9 0.7 0.7 0.7 0.8 0.7 1.3 0.7 0.6 0.8 0.5 0.5 0.7 1.7
0
0.8 0.6 1.5 0.9 0.8 0.8 1.2 1.4 0.8 0.8 3.0
[1] 4ckx.a 0.8 0.8 0.5 0.7 1.0 0.8 0.7 1.0 0.7 0.6 0.9 0.8 0.7 0.8 2.0 0.8
0
0.5 1.4 1.0 0.8 0.7 0.8 1.0 0.8 0.6 3.1
[1] 4cky.a 0.6 0.7 0.4 0.6 0.8 0.7 0.6 1.1 0.6 0.5 0.7 0.6 0.7 0.6 1.9 0.6 0.5
0
1.4 0.9 0.7 0.7 0.9 1.1 0.7 0.5 3.1
[1] 4ckz.b 1.4 1.4 1.4 1.5 1.5 1.5 1.4 1.5 1.4 1.5 1.6 1.4 1.4 1.4 1.4 1.5 1.4 1.4
0
1.4 1.4 1.4 1.4 1.4 1.4 1.4 3.4
[1] 4ki7.d 2.3 1.4 1.0 0.8 1.1 1.6 1.3 1.6 1.3 1.4 2.4 0.9 2.3 2.0 2.0 0.9 1.0 0.9 1.4
0
1.8 1.4 1.6 2.6 2.4 2.2 3.2
[1] 4kij.a 2.1 1.4 0.6 0.8 0.8 1.1 1.1 1.4 1.5 1.0 2.5 0.7 2.2 2.3 1.9 0.8 0.8 0.7 1.4 1.8
0
1.5 1.3 2.5 2.3 2.2 3.2
[1] 4kiu.b 2.1 1.2 0.7 0.5 0.9 1.1 0.9 1.4 0.8 1.1 2.5 0.7 2.2 2.0 2.0 0.8 0.7 0.7 1.4 1.4 1.5
0
1.3 2.3 2.1 2.0 3.2
[1] 4kiw.b 1.2 1.2 0.7 1.0 1.2 1.0 1.2 1.1 1.4 1.0 2.2 1.1 1.3 1.7 1.9 1.2 0.8 0.9 1.4 1.6 1.3 1.3
0
1.3 1.4 1.3 3.0
[2] 3n59.c 1.2 2.3 0.6 1.2 1.6 2.2 2.0 2.1 1.4 1.3 2.9 1.5 1.4 2.0 1.9 1.4 1.0 1.1 1.4 2.6 2.5 2.3 1.3
0
0.9 0.9 3.2
[2] 3n8k.a 0.6 2.1 0.6 0.7 1.0 2.1 1.9 2.2 1.1 1.4 2.7 0.8 0.9 1.8 1.7 0.8 0.8 0.7 1.4 2.4 2.3 2.1 1.4 0.9
0
0.9 3.0
[2] 4cl0.a 0.7 1.9 0.6 0.6 0.8 2.1 1.8 2.0 1.0 1.3 2.4 0.6 0.8 1.5 0.7 0.8 0.6 0.5 1.4 2.2 2.2 2.0 1.3 0.9 0.9
0
2.9
[2] 4v0s.b 3.2 3.1 3.0 3.1 3.1 3.1 3.1 3.1 2.9 3.0 3.3 3.1 3.2 3.2 3.6 3.0 3.1 3.1 3.4 3.2 3.2 3.2 3.0 3.2 3.0 2.9
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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