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CHIB_SERMA_1_499

Chitinase B [Glycosyl hydrolase 18 family. Chitinase class II subfamily]

Composition of the binding site

Protein chains monomer
A1 (CHIB_SERMA):10, 12, 14, 16, 51, 96:99, 101:103, 142, 144, 145, 184, 190, 191, 194, 212, 214:216, 219:222, 239, 265, 292, 294, 314:318, 334:336, 338, 339, 401, 403, 40710, 12, 14, 16, 51, 96:99, 101:103, 142, 144, 145, 184, 190, 191, 194, 212, 214:216, 219:222, 239, 265, 292, 294, 314:318, 334:336, 338, 339, 401, 403, 407

Full PDB list

1e15, 1e6n, 1e6p, 1e6r, 1e6z, 1goi, 1gpf, 1h0g, 1h0i, 1o6i, 1ogb, 1ogg, 1ur8, 1ur9, 1w1p, 1w1t, 1w1v, 1w1y, 3wd0, 3wd1, 3wd2, 3wd3, 3wd4, 4z2g, 4z2h, 4z2i, 4z2j, 4z2k, 4z2l (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
1
0
F
1
2
P
1
4
F
5
1
G
9
6
W
9
7
Y
9
8
N
1
0
1
D
1
0
2
L
1
0
3
D
1
4
2
E
1
4
4
Y
1
4
5
A
1
8
4
F
1
9
0
F
1
9
1
M
2
1
2
Y
2
1
4
D
2
1
5
L
2
1
6
P
2
1
9
W
2
2
0
E
2
2
1
F
2
3
9
L
2
6
5
Y
2
9
2
R
2
9
4
G
3
1
4
D
3
1
6
P
3
1
7
D
3
3
4
K
3
3
5
D
3
3
6
R
3
3
8
I
3
3
9
M
4
0
1
W
4
0
3
Q
4
0
7
[1]1e6p.a none . . . . . . . . . . . Q . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1e6r.a naa.naa.ami43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1e6z.a ngo14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1goi.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1h0g.a 0ar.dpr.un2Hun148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1h0i.a vr0.mea.ias.ias.dal48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1o6i.a 0hz18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1ogb.a none . . . . . . . . . . N . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1ogg.a naa.naa.ami43 . . . . . . . . . . N . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1ur8.a gdl.nag29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1ur9.a phj.gdl.nag39 . . . . . . . . . . N . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1w1p.a gio11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1w1t.a chq,chq34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1w1v.a alj18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1w1y.a typ,typ,typ57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3wd1.a st752 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3wd2.a a1l36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3wd4.a a1l,qub52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4z2g.a m6v,m6v100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4z2h.a m6a48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4z2i.a m6b,m6b98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4z2j.a m6g,m6g102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4z2k.a m6e53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4z2l.a m6f46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
Y
1
0
F
1
2
P
1
4
N
1
6
F
5
1
G
9
6
W
9
7
Y
9
8
Y
9
9
N
1
0
1
D
1
0
2
L
1
0
3
D
1
4
2
E
1
4
4
Y
1
4
5
A
1
8
4
F
1
9
0
F
1
9
1
R
1
9
4
M
2
1
2
Y
2
1
4
D
2
1
5
L
2
1
6
P
2
1
9
W
2
2
0
E
2
2
1
K
2
2
2
F
2
3
9
L
2
6
5
Y
2
9
2
R
2
9
4
G
3
1
4
E
3
1
5
D
3
1
6
P
3
1
7
Y
3
1
8
D
3
3
4
K
3
3
5
D
3
3
6
R
3
3
8
I
3
3
9
M
4
0
1
W
4
0
3
Q
4
0
7
[1]1e6p.a . . . . . . . . . . . . . Q . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]1e6r.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]1e6z.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]1goi.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]1h0g.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * . . . . . . . . . .
[1]1h0i.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]1o6i.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]1ogb.a . . . . . . . . . . . . N . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]1ogg.a . . . . . . . . . . . . N . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1ur8.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]1ur9.a . . . . . . . . . . . . N . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]1w1p.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]1w1t.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]1w1v.a . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . * . . . . . . . . . .
[1]1w1y.a . . . . . . . * . . . . . . . . . . . * . . . . . . . . . . . . . * * . . . . . . . . .
[1]3wd1.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]3wd2.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]3wd4.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]4z2g.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4z2h.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4z2i.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]4z2j.a . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]4z2k.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . .
[1]4z2l.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
1e6p.a is apo
1e6r.a:naa.naa.ami
1e6z.a:ngo
1goi.a is apo
1h0g.a:0ar.dpr.un2Hun1
1h0i.a:vr0.mea.ias.ias.dal
1o6i.a:0hz
1ogb.a is apo
1ogg.a:naa.naa.ami
1ur8.a:gdl.nag
1ur9.a:phj.gdl.nag
1w1p.a:gio
1w1t.a:chq
1w1v.a:alj
1w1y.a:typ
3wd1.a:st7
3wd2.a:a1l
3wd4.a:a1l,qub
4z2g.a:m6v
4z2h.a:m6a
4z2i.a:m6b
4z2j.a:m6g
4z2k.a:m6e
4z2l.a:m6f
[1] 1e6p.a
-
0.9 0.3 - 0.4 2.4 0 - 0.8 0.5 0.3 0 0.1 0.1 0.2 1.2 0.8 0.8 1.2 0.5 0.4 1.4 0.8 0.5
[1] 1e6r.a -
0
0.2 - 0.2 1.4 0.8 - 0 0.1 0.3 0.2 0.3 0.3 0.6 1.9 0.7 1.5 1.6 0.6 0.6 1.7 1.4 0.7
[1] 1e6z.a - 0.8
0.3
- 0.4 2.3 0.1 - 0.9 0.4 0.3 0 0.3 0 0.3 1.1 0.5 1.1 1.3 0.7 0.5 1.6 1.1 0.5
[1] 1goi.a - 1.0 0.6
-
0.4 2.1 0.4 - 1.0 0.5 0.4 0.4 0.2 0.1 0.3 1.2 0.6 1.0 1.4 0.6 0.4 1.4 0.8 0.5
[1] 1h0g.a - 0.8 0.3 -
0
2.9 0.4 - 0.9 0.4 0.5 0.2 0.4 0.4 1.1 0.8 0.5 0.5 1.4 0.7 0.6 1.4 1.8 0.6
[1] 1h0i.a - 0.5 0.3 - 0.4
0
0.9 - 0.5 0.8 0.9 0.4 0.6 0.7 0.9 1.6 0.4 1.3 1.4 0.7 0.4 1.1 0.6 0.3
[1] 1o6i.a - 0.6 0.3 - 0.3 2.7
0
- 0.6 0.5 0.2 0 0.1 0 0.4 1.3 0.5 0.7 1.0 0.5 0.2 1.2 0.7 0.2
[1] 1ogb.a - 1.4 0.4 - 0.6 1.8 0.5
-
1.5 0.8 0.6 0.1 0.2 0.1 0.4 1.2 0.7 1.2 1.5 0.6 0.4 1.7 1.1 0.4
[1] 1ogg.a - 0 0.1 - 0.2 0.5 0.9 -
0
0.3 0.3 0.6 0.5 0.4 0.5 0.7 0.2 0.8 1.2 1.3 0.5 1.4 0.3 0.8
[1] 1ur8.a - 0.5 0.4 - 0.3 1.5 0.9 - 0.4
0.1
0.3 0.6 1.0 0.9 0.9 1.8 0.7 1.7 1.5 1.3 0.8 1.8 1.5 0.9
[1] 1ur9.a - 0.7 0.3 - 0.6 3.1 1.1 - 0.8 0.1
0.1
0.7 0.9 0.9 1.1 0.8 0.7 0.7 1.9 0.7 1.0 2.2 0.5 0.7
[1] 1w1p.a - 0.6 0.3 - 0.2 3.3 0.1 - 0.5 0.5 0.6
0
0.2 0 0.8 0.2 0.5 0.1 1.3 0.7 0.3 1.1 0.1 1.1
[1] 1w1t.a - 0.6 0.3 - 0.4 2.4 0.1 - 0.5 0.5 0.5 0
0.2
0 0.4 0.8 0.4 0.5 1.0 0.3 0.1 1.7 0.7 0.4
[1] 1w1v.a - 0.6 0.4 - 0.3 3.4 0 - 0.6 1.1 0.3 0 0.4
0
0.3 0.3 0.5 0.3 1.4 1.1 0.5 1.6 0.3 1.3
[1] 1w1y.a - 1.0 0.4 - 2.0 6.2 0.2 - 0.9 1.5 0.8 0.1 0.2 0.3
0
2.1 4.0 1.6 2.9 3.3 2.2 3.3 0.7 3.0
[1] 3wd1.a - 0.5 0.5 - 0.5 2.1 0.4 - 0.5 0.6 0.6 0.4 0.7 0.4 0.8
0
0.5 0 1.7 0.2 0.4 1.8 0.2 0.2
[1] 3wd2.a - 0.7 0.3 - 0.5 2.6 0.4 - 0.7 0.6 0.2 0.4 0.5 0.4 0.6 0.4
0.1
0.3 1.4 1.0 0.3 1.3 0 0.7
[1] 3wd4.a - 0.6 0.4 - 0.5 2.4 0.4 - 0.7 0.6 0.2 0.4 0.7 0.5 0.7 0.2 0.2
0
1.4 0.5 0.2 1.6 0.1 0.3
[1] 4z2g.a - 0.4 0.4 - 0.7 2.8 0.5 - 0.9 0.6 0.5 0.5 0.6 0.4 0.9 0.7 2.7 0.7
0.2
0.1 0.1 0.3 1.5 0.1
[1] 4z2h.a - 0.7 0.6 - 0.3 1.5 0.6 - 0.8 0.7 0.6 0.4 0.5 0.8 1.1 0.2 0.5 0.5 1.2
0
0.1 1.4 0.2 0
[1] 4z2i.a - 0.7 0.4 - 0.7 1.7 0.5 - 0.6 0.7 0.6 0.4 0.6 0.7 1.0 0.5 0.5 0.5 1.0 0
0.1
0.9 0.3 0
[1] 4z2j.a - 0.7 0.4 - 0.6 2.8 0.4 - 0.6 0.5 0.5 0.4 0.3 0.5 0.7 0.6 1.9 0.2 0.3 0.2 0
0.1
0.1 0
[1] 4z2k.a - 0.7 0.4 - 0.7 2.8 0.4 - 0.7 0.7 0.3 0.5 0.6 0.6 0.9 0.3 0.4 0.2 1.5 1.2 0.3 1.0
0
1.0
[1] 4z2l.a - 0.8 0.4 - 0.6 2.4 0.4 - 0.6 0.6 0.7 0.4 0.5 0.5 1.0 0.2 1.8 0.4 0.5 0 0 0.3 0.3
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
1e6p.a
1e6r.a
1e6z.a
1goi.a
1h0g.a
1h0i.a
1o6i.a
1ogb.a
1ogg.a
1ur8.a
1ur9.a
1w1p.a
1w1t.a
1w1v.a
1w1y.a
3wd1.a
3wd2.a
3wd4.a
4z2g.a
4z2h.a
4z2i.a
4z2j.a
4z2k.a
4z2l.a
[1] 1e6p.a
0
.06 .02 .03 .09 .08 .03 .04 .10 .07 .10 .08 .05 .06 .14 .07 .05 .06 .10 .09 .09 .10 .06 .10
[1] 1e6r.a .06
0
.07 .06 .10 .05 .08 .05 .06 .03 .09 .10 .07 .10 .18 .08 .07 .08 .10 .08 .08 .09 .08 .09
[1] 1e6z.a .02 .07
0
.04 .10 .08 .04 .05 .11 .07 .10 .08 .04 .07 .15 .06 .06 .06 .10 .10 .09 .09 .07 .10
[1] 1goi.a .03 .06 .04
0
.10 .07 .05 .02 .09 .06 .08 .08 .05 .08 .15 .06 .03 .04 .09 .08 .07 .08 .05 .09
[1] 1h0g.a .09 .10 .10 .10
0
.10 .08 .11 .12 .10 .10 .08 .09 .10 .18 .12 .08 .09 .13 .12 .11 .12 .08 .13
[1] 1h0i.a .08 .05 .08 .07 .10
0
.08 .05 .07 .06 .10 .10 .08 .11 .18 .08 .07 .07 .10 .07 .05 .09 .07 .08
[1] 1o6i.a .03 .08 .04 .05 .08 .08
0
.06 .09 .08 .08 .06 .03 .05 .12 .06 .02 .04 .10 .08 .08 .09 .04 .10
[1] 1ogb.a .04 .05 .05 .02 .11 .05 .06
0
.08 .07 .09 .10 .06 .09 .16 .07 .05 .05 .09 .08 .07 .09 .06 .08
[1] 1ogg.a .10 .06 .11 .09 .12 .07 .09 .08
0
.05 .11 .13 .10 .13 .20 .10 .08 .09 .11 .09 .09 .12 .10 .10
[1] 1ur8.a .07 .03 .07 .06 .10 .06 .08 .07 .05
0
.08 .10 .08 .11 .18 .09 .08 .08 .11 .09 .09 .10 .08 .11
[1] 1ur9.a .10 .09 .10 .08 .10 .10 .08 .09 .11 .08
0
.08 .10 .08 .17 .11 .08 .08 .15 .12 .12 .14 .08 .14
[1] 1w1p.a .08 .10 .08 .08 .08 .10 .06 .10 .13 .10 .08
0
.05 .05 .16 .08 .05 .07 .12 .09 .09 .10 .04 .11
[1] 1w1t.a .05 .07 .04 .05 .09 .08 .03 .06 .10 .08 .10 .05
0
.06 .15 .05 .04 .04 .09 .07 .07 .07 .06 .07
[1] 1w1v.a .06 .10 .07 .08 .10 .11 .05 .09 .13 .11 .08 .05 .06
0
.12 .10 .06 .07 .13 .11 .11 .12 .06 .13
[1] 1w1y.a .14 .18 .15 .15 .18 .18 .12 .16 .20 .18 .17 .16 .15 .12
0
.18 .14 .15 .20 .19 .19 .21 .15 .21
[1] 3wd1.a .07 .08 .06 .06 .12 .08 .06 .07 .10 .09 .11 .08 .05 .10 .18
0
.05 .04 .07 .04 .05 .05 .06 .05
[1] 3wd2.a .05 .07 .06 .03 .08 .07 .02 .05 .08 .08 .08 .05 .04 .06 .14 .05
0
.02 .09 .07 .06 .07 .02 .08
[1] 3wd4.a .06 .08 .06 .04 .09 .07 .04 .05 .09 .08 .08 .07 .04 .07 .15 .04 .02
0
.09 .06 .06 .07 .03 .08
[1] 4z2g.a .10 .10 .10 .09 .13 .10 .10 .09 .11 .11 .15 .12 .09 .13 .20 .07 .09 .09
0
.07 .06 .04 .10 .05
[1] 4z2h.a .09 .08 .10 .08 .12 .07 .08 .08 .09 .09 .12 .09 .07 .11 .19 .04 .07 .06 .07
0
.03 .07 .08 .04
[1] 4z2i.a .09 .08 .09 .07 .11 .05 .08 .07 .09 .09 .12 .09 .07 .11 .19 .05 .06 .06 .06 .03
0
.05 .07 .03
[1] 4z2j.a .10 .09 .09 .08 .12 .09 .09 .09 .12 .10 .14 .10 .07 .12 .21 .05 .07 .07 .04 .07 .05
0
.07 .03
[1] 4z2k.a .06 .08 .07 .05 .08 .07 .04 .06 .10 .08 .08 .04 .06 .06 .15 .06 .02 .03 .10 .08 .07 .07
0
.09
[1] 4z2l.a .10 .09 .10 .09 .13 .08 .10 .08 .10 .11 .14 .11 .07 .13 .21 .05 .08 .08 .05 .04 .03 .03 .09
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
1e6p.a
1e6r.a
1e6z.a
1goi.a
1h0g.a
1h0i.a
1o6i.a
1ogb.a
1ogg.a
1ur8.a
1ur9.a
1w1p.a
1w1t.a
1w1v.a
1w1y.a
3wd1.a
3wd2.a
3wd4.a
4z2g.a
4z2h.a
4z2i.a
4z2j.a
4z2k.a
4z2l.a
[1] 1e6p.a
0
0.4 0.2 0.1 0.4 0.7 0.2 0.2 0.4 0.4 0.5 0.2 0.2 0.2 0.4 0.5 0.4 0.4 0.6 0.6 0.5 0.5 0.4 0.6
[1] 1e6r.a 0.4
0
0.4 0.4 0.4 0.6 0.5 0.3 0.2 0.2 0.4 0.5 0.5 0.4 0.4 0.6 0.6 0.6 0.7 0.8 0.7 0.7 0.7 0.7
[1] 1e6z.a 0.2 0.4
0
0.2 0.5 0.7 0.2 0.2 0.4 0.4 0.5 0.3 0.3 0.2 0.3 0.5 0.5 0.5 0.7 0.7 0.6 0.5 0.5 0.6
[1] 1goi.a 0.1 0.4 0.2
0
0.4 0.7 0.2 0.2 0.4 0.4 0.5 0.2 0.2 0.2 0.3 0.5 0.4 0.4 0.6 0.6 0.6 0.5 0.4 0.6
[1] 1h0g.a 0.4 0.4 0.5 0.4
0
0.7 0.4 0.4 0.4 0.4 0.5 0.5 0.5 0.4 0.5 0.6 0.6 0.6 0.7 0.8 0.7 0.7 0.6 0.7
[1] 1h0i.a 0.7 0.6 0.7 0.7 0.7
0
0.8 0.7 0.6 0.6 0.6 0.8 0.8 0.7 0.8 0.8 0.8 0.8 0.9 0.8 0.7 0.8 0.8 0.8
[1] 1o6i.a 0.2 0.5 0.2 0.2 0.4 0.8
0
0.2 0.5 0.5 0.6 0.2 0.2 0.1 0.3 0.5 0.4 0.4 0.6 0.6 0.6 0.5 0.4 0.6
[1] 1ogb.a 0.2 0.3 0.2 0.2 0.4 0.7 0.2
0
0.3 0.3 0.4 0.3 0.3 0.2 0.3 0.5 0.4 0.4 0.6 0.6 0.6 0.5 0.4 0.6
[1] 1ogg.a 0.4 0.2 0.4 0.4 0.4 0.6 0.5 0.3
0
0.2 0.3 0.5 0.5 0.4 0.5 0.5 0.5 0.5 0.6 0.7 0.6 0.6 0.6 0.6
[1] 1ur8.a 0.4 0.2 0.4 0.4 0.4 0.6 0.5 0.3 0.2
0
0.3 0.5 0.5 0.4 0.5 0.6 0.6 0.6 0.7 0.8 0.7 0.7 0.6 0.7
[1] 1ur9.a 0.5 0.4 0.5 0.5 0.5 0.6 0.6 0.4 0.3 0.3
0
0.5 0.6 0.5 0.6 0.6 0.6 0.6 0.7 0.7 0.7 0.7 0.6 0.7
[1] 1w1p.a 0.2 0.5 0.3 0.2 0.5 0.8 0.2 0.3 0.5 0.5 0.5
0
0.1 0.2 0.3 0.5 0.4 0.4 0.6 0.6 0.5 0.5 0.4 0.6
[1] 1w1t.a 0.2 0.5 0.3 0.2 0.5 0.8 0.2 0.3 0.5 0.5 0.6 0.1
0
0.2 0.3 0.5 0.4 0.4 0.6 0.6 0.5 0.5 0.4 0.6
[1] 1w1v.a 0.2 0.4 0.2 0.2 0.4 0.7 0.1 0.2 0.4 0.4 0.5 0.2 0.2
0
0.3 0.5 0.4 0.4 0.6 0.7 0.6 0.5 0.4 0.6
[1] 1w1y.a 0.4 0.4 0.3 0.3 0.5 0.8 0.3 0.3 0.5 0.5 0.6 0.3 0.3 0.3
0
0.6 0.5 0.6 0.7 0.8 0.7 0.6 0.6 0.7
[1] 3wd1.a 0.5 0.6 0.5 0.5 0.6 0.8 0.5 0.5 0.5 0.6 0.6 0.5 0.5 0.5 0.6
0
0.3 0.3 0.4 0.5 0.3 0.4 0.4 0.3
[1] 3wd2.a 0.4 0.6 0.5 0.4 0.6 0.8 0.4 0.4 0.5 0.6 0.6 0.4 0.4 0.4 0.5 0.3
0
0.1 0.5 0.4 0.3 0.3 0.1 0.3
[1] 3wd4.a 0.4 0.6 0.5 0.4 0.6 0.8 0.4 0.4 0.5 0.6 0.6 0.4 0.4 0.4 0.6 0.3 0.1
0
0.5 0.4 0.3 0.3 0.2 0.3
[1] 4z2g.a 0.6 0.7 0.7 0.6 0.7 0.9 0.6 0.6 0.6 0.7 0.7 0.6 0.6 0.6 0.7 0.4 0.5 0.5
0
0.6 0.5 0.5 0.5 0.5
[1] 4z2h.a 0.6 0.8 0.7 0.6 0.8 0.8 0.6 0.6 0.7 0.8 0.7 0.6 0.6 0.7 0.8 0.5 0.4 0.4 0.6
0
0.2 0.3 0.4 0.2
[1] 4z2i.a 0.5 0.7 0.6 0.6 0.7 0.7 0.6 0.6 0.6 0.7 0.7 0.5 0.5 0.6 0.7 0.3 0.3 0.3 0.5 0.2
0
0.2 0.4 0.2
[1] 4z2j.a 0.5 0.7 0.5 0.5 0.7 0.8 0.5 0.5 0.6 0.7 0.7 0.5 0.5 0.5 0.6 0.4 0.3 0.3 0.5 0.3 0.2
0
0.3 0.3
[1] 4z2k.a 0.4 0.7 0.5 0.4 0.6 0.8 0.4 0.4 0.6 0.6 0.6 0.4 0.4 0.4 0.6 0.4 0.1 0.2 0.5 0.4 0.4 0.3
0
0.4
[1] 4z2l.a 0.6 0.7 0.6 0.6 0.7 0.8 0.6 0.6 0.6 0.7 0.7 0.6 0.6 0.6 0.7 0.3 0.3 0.3 0.5 0.2 0.2 0.3 0.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.5 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
1e6p.a
1e6r.a
1e6z.a
1goi.a
1h0g.a
1h0i.a
1o6i.a
1ogb.a
1ogg.a
1ur8.a
1ur9.a
1w1p.a
1w1t.a
1w1v.a
1w1y.a
3wd1.a
3wd2.a
3wd4.a
4z2g.a
4z2h.a
4z2i.a
4z2j.a
4z2k.a
4z2l.a
[1] 1e6p.a
0
0.7 0.4 0.5 0.9 1.0 0.5 0.5 0.7 0.7 0.8 0.6 0.5 0.6 1.1 0.7 0.6 0.7 1.1 0.9 0.8 1.0 0.6 1.1
[1] 1e6r.a 0.7
0
0.6 0.7 0.9 0.9 0.8 0.6 0.6 0.6 0.8 0.9 0.8 0.8 1.2 0.8 0.8 0.9 1.0 1.0 0.9 1.0 0.8 1.1
[1] 1e6z.a 0.4 0.6
0
0.5 0.9 1.0 0.6 0.5 0.7 0.7 0.8 0.7 0.6 0.6 1.1 0.7 0.7 0.7 1.1 0.9 0.8 0.9 0.7 1.0
[1] 1goi.a 0.5 0.7 0.5
0
0.9 0.9 0.5 0.3 0.6 0.5 0.7 0.6 0.5 0.5 1.1 0.7 0.6 0.7 1.1 0.9 0.8 1.0 0.6 1.1
[1] 1h0g.a 0.9 0.9 0.9 0.9
0
1.2 0.7 0.8 0.7 0.6 0.8 0.7 0.8 0.7 1.2 1.0 1.0 1.0 1.3 1.1 1.1 1.2 1.0 1.2
[1] 1h0i.a 1.0 0.9 1.0 0.9 1.2
0
0.9 0.8 0.7 0.6 0.8 1.0 0.9 1.0 1.4 1.0 1.0 1.0 1.3 1.1 1.1 1.2 1.0 1.3
[1] 1o6i.a 0.5 0.8 0.6 0.5 0.7 0.9
0
0.5 0.6 0.6 0.8 0.4 0.3 0.3 1.0 0.8 0.6 0.7 1.1 0.9 0.8 0.9 0.7 1.1
[1] 1ogb.a 0.5 0.6 0.5 0.3 0.8 0.8 0.5
0
0.5 0.5 0.7 0.6 0.5 0.5 1.0 0.7 0.6 0.6 1.1 0.8 0.7 0.9 0.6 1.0
[1] 1ogg.a 0.7 0.6 0.7 0.6 0.7 0.7 0.6 0.5
0
0.3 0.5 0.6 0.6 0.6 1.0 0.7 0.7 0.7 0.9 0.8 0.8 0.9 0.7 0.9
[1] 1ur8.a 0.7 0.6 0.7 0.5 0.6 0.6 0.6 0.5 0.3
0
0.5 0.7 0.6 0.6 1.1 0.8 0.7 0.8 1.0 0.9 0.8 0.9 0.8 1.1
[1] 1ur9.a 0.8 0.8 0.8 0.7 0.8 0.8 0.8 0.7 0.5 0.5
0
0.7 0.8 0.7 1.2 0.8 0.8 0.8 1.2 0.9 0.9 1.0 0.8 1.0
[1] 1w1p.a 0.6 0.9 0.7 0.6 0.7 1.0 0.4 0.6 0.6 0.7 0.7
0
0.3 0.3 1.0 0.7 0.6 0.6 1.1 0.8 0.8 0.9 0.6 1.0
[1] 1w1t.a 0.5 0.8 0.6 0.5 0.8 0.9 0.3 0.5 0.6 0.6 0.8 0.3
0
0.4 1.0 0.8 0.6 0.7 1.1 0.8 0.7 0.9 0.6 1.0
[1] 1w1v.a 0.6 0.8 0.6 0.5 0.7 1.0 0.3 0.5 0.6 0.6 0.7 0.3 0.4
0
1.0 0.7 0.7 0.7 1.1 0.8 0.8 0.9 0.7 1.0
[1] 1w1y.a 1.1 1.2 1.1 1.1 1.2 1.4 1.0 1.0 1.0 1.1 1.2 1.0 1.0 1.0
0
1.2 1.2 1.2 1.4 1.3 1.2 1.3 1.2 1.4
[1] 3wd1.a 0.7 0.8 0.7 0.7 1.0 1.0 0.8 0.7 0.7 0.8 0.8 0.7 0.8 0.7 1.2
0
0.5 0.4 0.9 0.6 0.6 0.9 0.5 0.8
[1] 3wd2.a 0.6 0.8 0.7 0.6 1.0 1.0 0.6 0.6 0.7 0.7 0.8 0.6 0.6 0.7 1.2 0.5
0
0.3 1.0 0.7 0.7 0.9 0.3 0.9
[1] 3wd4.a 0.7 0.9 0.7 0.7 1.0 1.0 0.7 0.6 0.7 0.8 0.8 0.6 0.7 0.7 1.2 0.4 0.3
0
1.0 0.5 0.6 0.8 0.3 0.8
[1] 4z2g.a 1.1 1.0 1.1 1.1 1.3 1.3 1.1 1.1 0.9 1.0 1.2 1.1 1.1 1.1 1.4 0.9 1.0 1.0
0
1.1 1.0 0.8 1.0 0.9
[1] 4z2h.a 0.9 1.0 0.9 0.9 1.1 1.1 0.9 0.8 0.8 0.9 0.9 0.8 0.8 0.8 1.3 0.6 0.7 0.5 1.1
0
0.5 0.8 0.6 0.6
[1] 4z2i.a 0.8 0.9 0.8 0.8 1.1 1.1 0.8 0.7 0.8 0.8 0.9 0.8 0.7 0.8 1.2 0.6 0.7 0.6 1.0 0.5
0
0.6 0.7 0.7
[1] 4z2j.a 1.0 1.0 0.9 1.0 1.2 1.2 0.9 0.9 0.9 0.9 1.0 0.9 0.9 0.9 1.3 0.9 0.9 0.8 0.8 0.8 0.6
0
0.8 0.5
[1] 4z2k.a 0.6 0.8 0.7 0.6 1.0 1.0 0.7 0.6 0.7 0.8 0.8 0.6 0.6 0.7 1.2 0.5 0.3 0.3 1.0 0.6 0.7 0.8
0
0.8
[1] 4z2l.a 1.1 1.1 1.0 1.1 1.2 1.3 1.1 1.0 0.9 1.1 1.0 1.0 1.0 1.0 1.4 0.8 0.9 0.8 0.9 0.6 0.7 0.5 0.8
0
[Binding site full-atom RMSD matrix]







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