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DEOD_ECOLI_2_238

Purine nucleoside phosphorylase DeoD-type [PNP/UDP phosphorylase family]

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (DEOD_ECOLI):R: Phosphate binding (88, 91)
R: Purine nucleoside binding (180:182)
R: Purine nucleoside binding (204, 205)
22, 65, 92, 93, 157, 160, 168, 179, 207, 218
22, 65, 88, 91:93, 157, 160, 168, 179:182, 204, 205, 207, 218
A2 (DEOD_ECOLI):4, 5, 44, 724, 5, 44, 72

Full PDB list

1a69, 1ecp, 1k9s, 1otx, 1oty, 1ou4, 1oum, 1ov6, 1ovg, 1pk7, 1pk9, 1pke, 1pr0, 1pr1, 1pr2, 1pr4, 1pr5, 1pr6, 1pw7, 3occ, 3onv, 3ooe, 3ooh, 3opv, 3ut6, 4rj2, 4ts3, 4ts9, 4tta, 4tti, 4ttj, 5i3c, 5iu6 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2
D
2
2
M
6
5
R
8
8
S
9
1
C
9
2
G
9
3
A
1
5
7
F
1
6
0
F
1
6
8
V
1
7
9
E
1
8
0
M
1
8
1
E
1
8
2
S
2
0
4
D
2
0
5
I
2
0
7
H
5
R
4
4
[1]1a69.a fmb19 . . . . . . . . . . . . . . . . . .
[1]1k9s.b fm220 . . . . . . . . . . . . . . . . . .
[1]1k9s.d fm120 . . . . . . . . . . . . . . . . . .
[1]1otx.a none . V . . . . . . . . . . . . . . . .
[1]1oty.a 6mp10 . . . . . . . . . . . . . . . . . .
[1]1oum.a tal20 . V . . . . . . . . . . . . . . . .
[1]1ov6.a dbm20 . V . . . . . . . . . . . . . . . .
[1]1ovg.a mdr18 . V . . . . . . . . . . . . . . . .
[1]1pk7.b adn19 . . . . . . . . . . . . . . . . . .
[1]1pk9.a 2fa20 . . . . . . . . . . . . . . . . . .
[1]1pke.a 2fd19 . . . . . . . . . . . . . . . . . .
[1]1pr0.a nos19 . . . . . . . . . . . . . . . . . .
[1]1pr2.a mdr18 . . . . . . . . . . . . . . . . . .
[1]1pr4.c mtp20 . . . . . . . . . . . . . . . . . .
[1]1pr5.a tbn19 . . . . . . . . . . . . . . . . . .
[1]1pr6.a xya19 . . . . . . . . . . . . . . . . . .
[1]1pw7.a rab19 . . . . . . . . . . . . . . . . . .
[1]3occ.c dih19 . . . . . . . . . . . . . . . . . .
[1]4rj2.a none . . . . . . . . . . . . . . . . . .
[1]4ts9.a fmc19 . . . . . . . . . . . . . . . . . .
[1]4tti.b none . . . . . . . . . . . . . . A . . .
[1]4tti.c fmc19 . . . . . . . . . . . . . . A - . .
[1]4ttj.a fmc19 . . . . . . . . . . . . . . A . . .
[1]5i3c.a ac216 . . . . . . . . . . . . . . . . . .
[1]5iu6.a 7hx10 . . . . . . . . . . . . . . . . . .

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 A2
D
2
2
M
6
5
R
8
8
S
9
1
C
9
2
G
9
3
A
1
5
7
F
1
6
0
F
1
6
8
V
1
7
9
E
1
8
0
M
1
8
1
E
1
8
2
S
2
0
4
D
2
0
5
I
2
0
7
R
2
1
8
P
4
H
5
R
4
4
I
7
2
[1]1a69.a . . . . . . . . . . . . . . . . . . . . .
[1]1k9s.b . . . . . . . . . . . . . . . . . . . . .
[1]1k9s.d . . . . . . . . . . . . . . . . . . . . .
[1]1otx.a . V . . . . . . . . . . . . . . . . . . .
[1]1oty.a . . . . . . . . . . . . . . . . . . . . .
[1]1oum.a . V . . . . . . . . . . . . . . . . . . .
[1]1ov6.a . V . . . . . . . . . . . . . . . . . . .
[1]1ovg.a . V . . . . . . . . . . . . . . . . . . .
[1]1pk7.b . . . . . . . . . . . . . . . . . . . . .
[1]1pk9.a . . . . . . . . . . . . . . . . . . . . .
[1]1pke.a . . . . . . . . . . . . . . . . . . . . .
[1]1pr0.a . . . . . . . . . . . . . . . . . . . . .
[1]1pr2.a . . . . . . . . . . . . . . . . . . . . .
[1]1pr4.c . . . . . . . . . . . . . . . . . . . . .
[1]1pr5.a . . . . . . . . . . . . . . . . . . . . .
[1]1pr6.a . . . . . . . . . . . . . . . . . . . . .
[1]1pw7.a . . . . . . . . . . . . . . . . . . . . .
[1]3occ.c . . . . . . . . . . . . . . * . . . . . .
[1]4rj2.a . . . . . . . . . . . . . . . . . . . . .
[1]4ts9.a . . . . . . . . . . . . . . . . . . . . .
[1]4tti.b . . . . . . . . . . . . . . A . A . . . .
[1]4tti.c . . . . . . . . . . . . . . A - - . . . .
[1]4ttj.a . . . . . . . . . . . . . . A . A . . . .
[1]5i3c.a . . . . . . . . . . . . . . . . . . . . .
[1]5iu6.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
1a69.a:fmb
1k9s.b:fm2
1k9s.d:fm1
1otx.a is apo
1oty.a:6mp
1oum.a:tal
1ov6.a:dbm
1ovg.a:mdr
1pk7.b:adn
1pk9.a:2fa
1pke.a:2fd
1pr0.a:nos
1pr2.a:mdr
1pr4.c:mtp
1pr5.a:tbn
1pr6.a:xya
1pw7.a:rab
3occ.c:dih
4rj2.a is apo
4ts9.a:fmc
4tti.b is apo
4tti.c:fmc
4ttj.a:fmc
5i3c.a:ac2
5iu6.a:7hx
[1] 1a69.a
0.2
0.2 0.4 - 0 0.5 0.9 0 0.1 0.2 0.1 0.2 0.2 0.2 0.2 0.2 0.2 0.2 - 0.1 - 0.3 0.1 0.1 0.2
[1] 1k9s.b 0.1
0
0.1 - 0 0.3 1.1 0.1 0.1 0.1 0.1 0.2 0.1 0.1 0.3 0.1 0.3 0.2 - 0.1 - 0.3 0.2 0.1 0.2
[1] 1k9s.d 0.1 0.3
0
- 0 0.1 0.3 0.1 0 0.1 0.1 0.1 0.2 0.1 0.4 0 0.2 0.1 - 0.1 - 0.3 0.2 0 0.4
[1] 1otx.a 0 0.1 0
-
0 0.1 0.1 0 0 0 0 0.1 0 0.1 0.1 0 0 0 - 0 - 0 0 0 0.2
[1] 1oty.a 0 0.1 0.2 -
0
0.2 0.2 0 0 0.1 0.1 0.1 0 0 0.2 0 0 0.1 - 0 - 0.1 0.1 0 0.2
[1] 1oum.a 0.1 0.1 0.1 - 0
0.1
0.1 0 0 0.1 0 0.1 0 0.1 0.1 0.1 0 0.1 - 0.1 - 0.1 0.2 0 0
[1] 1ov6.a 0.1 0.1 0.1 - 0 0.1
0
0 0 0.2 0 0.1 0 0 0.2 0 0 0 - 0.1 - 0.1 0.1 0 0
[1] 1ovg.a 0 0.3 0.2 - 0 0.1 0.2
0
0.1 0.1 0.1 0.2 0 0.1 0.3 0.1 0.1 0.1 - 0 - 0.4 0.3 0 0.1
[1] 1pk7.b 0 0 0.1 - 0 0.2 0.1 0.1
0.1
0 0 0 0 0.1 0.2 0 0 0.1 - 0 - 0 0 0 0.1
[1] 1pk9.a 0.1 0.1 0 - 0 0.1 0.2 0 0
0.1
0 0.1 0 0.2 0.2 0 0 0.1 - 0.1 - 0.1 0.1 0 0.1
[1] 1pke.a 0.1 0.3 0.1 - 0 0.1 0.3 0 0 0
0
0.2 0.2 0.2 0.3 0 0.1 0.1 - 0.2 - 0.2 0.2 0 0.2
[1] 1pr0.a 0 0 0.2 - 0 0.1 0.1 0 0.1 0.1 0
0.1
0 0 0.2 0 0 0.1 - 0 - 0 0.1 0 0.1
[1] 1pr2.a 0.3 0.3 0.2 - 0 0.3 0.2 0.1 0 0.3 0.1 0.3
0
0.2 0.3 0.1 0.1 0.1 - 0.3 - 0.3 0.3 0.3 0.1
[1] 1pr4.c 0.2 0.1 0.2 - 0 0.4 0.2 0.1 0.1 0.2 0.1 0.2 0.1
0.2
0.2 0.2 0.2 0.2 - 0.2 - 0.3 0.2 0.1 0
[1] 1pr5.a 0.1 0.1 0.2 - 0 0.3 0.1 0 0.1 0.2 0.1 0.1 0.1 0.2
0.1
0.2 0.1 0.2 - 0.1 - 0.2 0.1 0 0
[1] 1pr6.a 0 0.2 0.2 - 0 0.1 0.1 0 0.1 0.1 0 0.1 0 0.2 0.2
0
0 0.1 - 0 - 0.1 0.1 0 0.1
[1] 1pw7.a 0 0.2 0.2 - 0 0.2 0.2 0 0.1 0.1 0.1 0.1 0 0.1 0.2 0.1
0
0.2 - 0.1 - 0.2 0.2 0 0.1
[1] 3occ.c 0.2 0.2 0.4 - 0 0.3 1.1 0 0.2 0.2 0.1 0.3 0 0.4 0.4 0.2 0.2
0.1
- 0.2 - 0.4 0.2 0 0.2
[1] 4rj2.a 0 0.1 0 - 0 0.2 0.1 0 0.1 0.1 0.2 0.1 0.1 0.1 0.3 0 0.1 0.2
-
0 - 0 0.1 0 0.1
[1] 4ts9.a 0.2 0.2 0.3 - 0 0.3 0.5 0.3 0.1 0.1 0.2 0.2 0.3 0.1 0.4 0.1 0.2 0.3 -
0
- 0.3 0.2 0.1 0.4
[1] 4tti.b 0 0.2 0 - 0 0.2 0.1 0 0.1 0 0.1 0.1 0.1 0 0.2 0 0.2 0.1 - 0
-
0 0.2 0 0
[1] 4tti.c 0 0.2 0.1 - 0 0.2 0.1 0 0 0.1 0 0.2 0 0.1 0.3 0.1 0 0 - 0.1 -
0.4
0.2 0 0
[1] 4ttj.a 0.1 0 0.2 - 0 0.3 0.2 0.1 0.3 0.1 0.1 0.3 0.1 0.1 0.4 0.1 0.2 0.2 - 0.1 - 0.3
0.2
0.1 0
[1] 5i3c.a 0.1 0.2 0.3 - 0 0.2 0.1 0.1 0.2 0.2 0 0.1 0 0.1 0.2 0.1 0.1 0.1 - 0.1 - 0.3 0.2
0
0
[1] 5iu6.a 0.2 0.2 0.2 - 0 0.2 0.1 0 0.1 0.2 0.1 0.2 0 0.2 0.2 0.1 0 0.2 - 0.2 - 0.3 0.2 0
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
1a69.a
1k9s.b
1k9s.d
1otx.a
1oty.a
1oum.a
1ov6.a
1ovg.a
1pk7.b
1pk9.a
1pke.a
1pr0.a
1pr2.a
1pr4.c
1pr5.a
1pr6.a
1pw7.a
3occ.c
4rj2.a
4ts9.a
4tti.b
4tti.c
4ttj.a
5i3c.a
5iu6.a
[1] 1a69.a
0
.02 .05 .06 .05 .06 .07 .06 .05 .05 .05 .05 .07 .04 .05 .05 .05 .03 .05 .01 .06 .06 .04 .05 .06
[1] 1k9s.b .02
0
.04 .05 .05 .06 .06 .07 .05 .05 .05 .05 .06 .04 .06 .06 .06 .04 .06 .02 .07 .06 .05 .07 .06
[1] 1k9s.d .05 .04
0
.03 .03 .02 .04 .04 .03 .03 .01 .03 .03 .03 .04 .03 .03 .04 .04 .04 .04 .03 .05 .04 .03
[1] 1otx.a .06 .05 .03
0
.01 .02 .01 .02 .02 .01 .02 .01 .03 .03 .02 .02 .02 .06 .01 .05 .03 .02 .03 .03 .03
[1] 1oty.a .05 .05 .03 .01
0
.03 .02 .02 0 0 .02 0 .02 .02 .02 .01 .01 .05 .02 .04 .03 .02 .02 .02 .01
[1] 1oum.a .06 .06 .02 .02 .03
0
.02 .02 .02 .02 .02 .03 .03 .02 .03 .03 .03 .06 .03 .06 .02 .02 .03 .03 .02
[1] 1ov6.a .07 .06 .04 .01 .02 .02
0
.02 .02 .02 .03 .02 .03 .03 .02 .03 .03 .07 .02 .06 .02 .01 .03 .02 .02
[1] 1ovg.a .06 .07 .04 .02 .02 .02 .02
0
.01 .02 .03 .02 .02 .03 .02 .01 .01 .05 .03 .06 .03 .02 .03 .02 .01
[1] 1pk7.b .05 .05 .03 .02 0 .02 .02 .01
0
.01 .02 0 .03 .02 .01 .01 .01 .05 .02 .05 .03 .01 .01 .01 .01
[1] 1pk9.a .05 .05 .03 .01 0 .02 .02 .02 .01
0
.01 0 .02 .02 .01 .01 .01 .05 .01 .05 .03 .01 .02 .02 .02
[1] 1pke.a .05 .05 .01 .02 .02 .02 .03 .03 .02 .01
0
.02 .02 .03 .03 .02 .02 .05 .03 .05 .03 .02 .03 .03 .02
[1] 1pr0.a .05 .05 .03 .01 0 .03 .02 .02 0 0 .02
0
.02 .02 .02 .01 .01 .05 .02 .04 .03 .02 .02 .02 .01
[1] 1pr2.a .07 .06 .03 .03 .02 .03 .03 .02 .03 .02 .02 .02
0
.03 .02 .01 .01 .06 .03 .06 .04 .02 .04 .03 .03
[1] 1pr4.c .04 .04 .03 .03 .02 .02 .03 .03 .02 .02 .03 .02 .03
0
.02 .03 .03 .06 .03 .04 .03 .02 .01 .03 .03
[1] 1pr5.a .05 .06 .04 .02 .02 .03 .02 .02 .01 .01 .03 .02 .02 .02
0
.02 .02 .06 .02 .06 .03 .02 .02 .02 .02
[1] 1pr6.a .05 .06 .03 .02 .01 .03 .03 .01 .01 .01 .02 .01 .01 .03 .02
0
0 .05 .03 .05 .03 .02 .03 .02 .01
[1] 1pw7.a .05 .06 .03 .02 .01 .03 .03 .01 .01 .01 .02 .01 .01 .03 .02 0
0
.05 .03 .05 .03 .02 .03 .02 .01
[1] 3occ.c .03 .04 .04 .06 .05 .06 .07 .05 .05 .05 .05 .05 .06 .06 .06 .05 .05
0
.06 .02 .07 .05 .05 .05 .05
[1] 4rj2.a .05 .06 .04 .01 .02 .03 .02 .03 .02 .01 .03 .02 .03 .03 .02 .03 .03 .06
0
.06 .03 .03 .03 .03 .03
[1] 4ts9.a .01 .02 .04 .05 .04 .06 .06 .06 .05 .05 .05 .04 .06 .04 .06 .05 .05 .02 .06
0
.07 .06 .04 .06 .05
[1] 4tti.b .06 .07 .04 .03 .03 .02 .02 .03 .03 .03 .03 .03 .04 .03 .03 .03 .03 .07 .03 .07
0
.02 .03 .02 .02
[1] 4tti.c .06 .06 .03 .02 .02 .02 .01 .02 .01 .01 .02 .02 .02 .02 .02 .02 .02 .05 .03 .06 .02
0
.03 .01 0
[1] 4ttj.a .04 .05 .05 .03 .02 .03 .03 .03 .01 .02 .03 .02 .04 .01 .02 .03 .03 .05 .03 .04 .03 .03
0
.02 .02
[1] 5i3c.a .05 .07 .04 .03 .02 .03 .02 .02 .01 .02 .03 .02 .03 .03 .02 .02 .02 .05 .03 .06 .02 .01 .02
0
0
[1] 5iu6.a .06 .06 .03 .03 .01 .02 .02 .01 .01 .02 .02 .01 .03 .03 .02 .01 .01 .05 .03 .05 .02 0 .02 0
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.9 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1a69.a
1k9s.b
1k9s.d
1otx.a
1oty.a
1oum.a
1ov6.a
1ovg.a
1pk7.b
1pk9.a
1pke.a
1pr0.a
1pr2.a
1pr4.c
1pr5.a
1pr6.a
1pw7.a
3occ.c
4rj2.a
4ts9.a
4tti.b
4tti.c
4ttj.a
5i3c.a
5iu6.a
[1] 1a69.a
0
0.3 1.6 2.4 2.5 3.0 2.9 2.7 2.9 2.7 2.6 2.5 2.5 1.0 2.1 2.6 2.6 0.4 1.8 0.3 2.0 0.6 0.3 3.1 2.5
[1] 1k9s.b 0.3
0
1.6 2.3 2.4 2.9 2.8 2.6 2.8 2.6 2.5 2.4 2.4 1.0 2.1 2.5 2.5 0.4 1.8 0.4 2.0 0.8 0.3 3.0 2.4
[1] 1k9s.d 1.6 1.6
0
1.2 1.2 1.8 1.6 1.5 1.4 1.4 1.3 1.2 1.3 0.7 1.2 1.3 1.3 1.6 0.7 1.6 0.7 0.4 1.6 1.9 1.2
[1] 1otx.a 2.4 2.3 1.2
0
0.3 1.3 0.7 0.7 1.0 0.5 0.6 0.6 0.5 1.5 1.2 0.4 0.5 2.3 1.4 2.4 1.2 0.5 2.3 1.5 0.5
[1] 1oty.a 2.5 2.4 1.2 0.3
0
1.2 0.6 0.6 0.8 0.4 0.5 0.5 0.4 1.5 1.2 0.4 0.4 2.5 1.3 2.5 1.2 0.5 2.4 1.3 0.5
[1] 1oum.a 3.0 2.9 1.8 1.3 1.2
0
1.1 1.1 1.4 1.1 1.2 1.1 1.2 2.1 1.7 1.2 1.2 2.9 1.9 2.9 1.8 1.3 2.8 1.8 1.3
[1] 1ov6.a 2.9 2.8 1.6 0.7 0.6 1.1
0
0.6 1.0 0.5 0.6 0.6 0.7 1.9 1.4 0.5 0.5 2.8 1.7 2.9 1.6 0.5 2.8 1.3 0.7
[1] 1ovg.a 2.7 2.6 1.5 0.7 0.6 1.1 0.6
0
1.0 0.5 0.6 0.5 0.6 1.7 1.3 0.5 0.5 2.6 1.5 2.7 1.4 0.6 2.6 1.2 0.6
[1] 1pk7.b 2.9 2.8 1.4 1.0 0.8 1.4 1.0 1.0
0
0.9 1.0 0.9 0.9 1.6 1.6 0.8 0.9 2.8 1.4 2.8 1.1 0.3 2.7 1.4 1.0
[1] 1pk9.a 2.7 2.6 1.4 0.5 0.4 1.1 0.5 0.5 0.9
0
0.3 0.4 0.3 1.6 1.3 0.2 0.3 2.6 1.5 2.6 1.4 0.5 2.5 1.3 0.4
[1] 1pke.a 2.6 2.5 1.3 0.6 0.5 1.2 0.6 0.6 1.0 0.3
0
0.3 0.4 1.6 1.3 0.3 0.4 2.5 1.5 2.5 1.4 0.6 2.5 1.3 0.6
[1] 1pr0.a 2.5 2.4 1.2 0.6 0.5 1.1 0.6 0.5 0.9 0.4 0.3
0
0.4 1.5 1.2 0.3 0.3 2.4 1.3 2.5 1.2 0.4 2.4 1.3 0.5
[1] 1pr2.a 2.5 2.4 1.3 0.5 0.4 1.2 0.7 0.6 0.9 0.3 0.4 0.4
0
1.5 1.2 0.3 0.3 2.5 1.4 2.5 1.2 0.5 2.4 1.3 0.5
[1] 1pr4.c 1.0 1.0 0.7 1.5 1.5 2.1 1.9 1.7 1.6 1.6 1.6 1.5 1.5
0
1.2 1.5 1.5 1.0 1.0 1.0 0.9 0.7 0.9 2.1 1.5
[1] 1pr5.a 2.1 2.1 1.2 1.2 1.2 1.7 1.4 1.3 1.6 1.3 1.3 1.2 1.2 1.2
0
1.2 1.2 2.1 1.4 2.1 1.2 0.4 2.0 1.5 1.3
[1] 1pr6.a 2.6 2.5 1.3 0.4 0.4 1.2 0.5 0.5 0.8 0.2 0.3 0.3 0.3 1.5 1.2
0
0.2 2.5 1.3 2.5 1.2 0.4 2.5 1.2 0.3
[1] 1pw7.a 2.6 2.5 1.3 0.5 0.4 1.2 0.5 0.5 0.9 0.3 0.4 0.3 0.3 1.5 1.2 0.2
0
2.5 1.4 2.5 1.2 0.4 2.5 1.3 0.4
[1] 3occ.c 0.4 0.4 1.6 2.3 2.5 2.9 2.8 2.6 2.8 2.6 2.5 2.4 2.5 1.0 2.1 2.5 2.5
0
1.8 0.4 2.0 0.8 0.3 3.1 2.4
[1] 4rj2.a 1.8 1.8 0.7 1.4 1.3 1.9 1.7 1.5 1.4 1.5 1.5 1.3 1.4 1.0 1.4 1.3 1.4 1.8
0
1.8 0.5 0.4 1.7 1.7 1.3
[1] 4ts9.a 0.3 0.4 1.6 2.4 2.5 2.9 2.9 2.7 2.8 2.6 2.5 2.5 2.5 1.0 2.1 2.5 2.5 0.4 1.8
0
2.0 0.5 0.2 3.1 2.5
[1] 4tti.b 2.0 2.0 0.7 1.2 1.2 1.8 1.6 1.4 1.1 1.4 1.4 1.2 1.2 0.9 1.2 1.2 1.2 2.0 0.5 2.0
0
0.3 1.9 1.7 1.2
[1] 4tti.c 0.6 0.8 0.4 0.5 0.5 1.3 0.5 0.6 0.3 0.5 0.6 0.4 0.5 0.7 0.4 0.4 0.4 0.8 0.4 0.5 0.3
0
0.6 0.3 0.4
[1] 4ttj.a 0.3 0.3 1.6 2.3 2.4 2.8 2.8 2.6 2.7 2.5 2.5 2.4 2.4 0.9 2.0 2.5 2.5 0.3 1.7 0.2 1.9 0.6
0
3.0 2.4
[1] 5i3c.a 3.1 3.0 1.9 1.5 1.3 1.8 1.3 1.2 1.4 1.3 1.3 1.3 1.3 2.1 1.5 1.2 1.3 3.1 1.7 3.1 1.7 0.3 3.0
0
1.3
[1] 5iu6.a 2.5 2.4 1.2 0.5 0.5 1.3 0.7 0.6 1.0 0.4 0.6 0.5 0.5 1.5 1.3 0.3 0.4 2.4 1.3 2.5 1.2 0.4 2.4 1.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.3 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1a69.a
1k9s.b
1k9s.d
1otx.a
1oty.a
1oum.a
1ov6.a
1ovg.a
1pk7.b
1pk9.a
1pke.a
1pr0.a
1pr2.a
1pr4.c
1pr5.a
1pr6.a
1pw7.a
3occ.c
4rj2.a
4ts9.a
4tti.b
4tti.c
4ttj.a
5i3c.a
5iu6.a
[1] 1a69.a
0
0.8 1.6 3.1 3.1 3.6 3.5 3.3 3.2 3.5 3.1 3.0 3.2 1.3 2.6 3.0 3.2 0.9 2.0 0.7 2.0 0.8 0.6 4.0 3.1
[1] 1k9s.b 0.8
0
1.5 3.0 3.1 3.5 3.4 3.2 3.2 3.3 3.0 2.9 3.1 1.3 2.7 2.9 3.1 0.6 1.9 0.6 1.9 0.8 0.6 3.8 3.1
[1] 1k9s.d 1.6 1.5
0
2.0 2.0 2.6 2.3 2.2 1.7 2.3 1.9 1.9 2.1 1.1 1.2 1.7 2.0 1.5 1.1 1.5 0.9 0.4 1.4 2.7 2.0
[1] 1otx.a 3.1 3.0 2.0
0
0.4 1.6 0.8 0.9 1.8 1.3 0.9 0.9 0.6 2.3 2.2 0.6 1.2 2.8 2.4 3.0 2.0 0.7 2.8 2.6 0.8
[1] 1oty.a 3.1 3.1 2.0 0.4
0
1.4 0.7 0.8 1.7 1.3 0.8 0.8 0.6 2.3 2.2 0.6 1.1 2.9 2.3 3.1 2.0 0.7 2.8 2.5 0.8
[1] 1oum.a 3.6 3.5 2.6 1.6 1.4
0
1.3 1.4 2.3 1.8 1.6 1.5 1.4 2.9 2.6 1.4 1.6 3.3 2.8 3.5 2.7 1.6 3.4 2.8 1.7
[1] 1ov6.a 3.5 3.4 2.3 0.8 0.7 1.3
0
0.8 1.8 1.4 1.0 1.0 0.8 2.5 2.4 0.7 1.2 3.2 2.5 3.4 2.3 0.8 3.2 2.4 1.0
[1] 1ovg.a 3.3 3.2 2.2 0.9 0.8 1.4 0.8
0
1.9 1.1 0.8 0.9 0.6 2.5 2.3 0.7 1.2 3.0 2.5 3.2 2.2 0.8 3.0 2.3 0.9
[1] 1pk7.b 3.2 3.2 1.7 1.8 1.7 2.3 1.8 1.9
0
2.0 1.8 1.7 1.8 1.9 2.3 1.5 1.8 3.2 2.1 3.2 1.6 0.8 2.9 2.5 1.9
[1] 1pk9.a 3.5 3.3 2.3 1.3 1.3 1.8 1.4 1.1 2.0
0
0.9 1.1 1.1 2.7 2.2 0.9 1.4 3.3 2.6 3.4 2.4 0.7 3.1 2.1 1.3
[1] 1pke.a 3.1 3.0 1.9 0.9 0.8 1.6 1.0 0.8 1.8 0.9
0
0.6 0.7 2.3 2.2 0.6 1.2 2.9 2.3 3.0 2.0 0.7 2.8 2.3 1.0
[1] 1pr0.a 3.0 2.9 1.9 0.9 0.8 1.5 1.0 0.9 1.7 1.1 0.6
0
0.8 2.2 2.1 0.6 1.2 2.8 2.1 2.9 1.9 0.6 2.7 2.3 1.0
[1] 1pr2.a 3.2 3.1 2.1 0.6 0.6 1.4 0.8 0.6 1.8 1.1 0.7 0.8
0
2.3 2.2 0.6 1.1 2.9 2.4 3.1 2.1 0.8 2.9 2.5 0.8
[1] 1pr4.c 1.3 1.3 1.1 2.3 2.3 2.9 2.5 2.5 1.9 2.7 2.3 2.2 2.3
0
1.8 2.0 2.4 1.2 1.4 1.2 1.1 0.9 1.0 3.2 2.3
[1] 1pr5.a 2.6 2.7 1.2 2.2 2.2 2.6 2.4 2.3 2.3 2.2 2.2 2.1 2.2 1.8
0
2.2 2.3 2.6 2.2 2.6 1.5 0.6 1.8 2.7 2.3
[1] 1pr6.a 3.0 2.9 1.7 0.6 0.6 1.4 0.7 0.7 1.5 0.9 0.6 0.6 0.6 2.0 2.2
0
1.1 2.9 2.0 2.9 1.7 0.7 2.6 2.1 0.8
[1] 1pw7.a 3.2 3.1 2.0 1.2 1.1 1.6 1.2 1.2 1.8 1.4 1.2 1.2 1.1 2.4 2.3 1.1
0
3.0 2.3 3.1 2.0 0.7 2.9 2.3 1.2
[1] 3occ.c 0.9 0.6 1.5 2.8 2.9 3.3 3.2 3.0 3.2 3.3 2.9 2.8 2.9 1.2 2.6 2.9 3.0
0
2.0 0.8 2.0 1.0 0.7 3.8 2.9
[1] 4rj2.a 2.0 1.9 1.1 2.4 2.3 2.8 2.5 2.5 2.1 2.6 2.3 2.1 2.4 1.4 2.2 2.0 2.3 2.0
0
1.9 1.0 0.7 1.8 2.8 2.3
[1] 4ts9.a 0.7 0.6 1.5 3.0 3.1 3.5 3.4 3.2 3.2 3.4 3.0 2.9 3.1 1.2 2.6 2.9 3.1 0.8 1.9
0
1.9 0.5 0.4 3.9 3.1
[1] 4tti.b 2.0 1.9 0.9 2.0 2.0 2.7 2.3 2.2 1.6 2.4 2.0 1.9 2.1 1.1 1.5 1.7 2.0 2.0 1.0 1.9
0
0.4 1.9 2.8 2.1
[1] 4tti.c 0.8 0.8 0.4 0.7 0.7 1.6 0.8 0.8 0.8 0.7 0.7 0.6 0.8 0.9 0.6 0.7 0.7 1.0 0.7 0.5 0.4
0
0.7 0.6 0.7
[1] 4ttj.a 0.6 0.6 1.4 2.8 2.8 3.4 3.2 3.0 2.9 3.1 2.8 2.7 2.9 1.0 1.8 2.6 2.9 0.7 1.8 0.4 1.9 0.7
0
3.6 2.8
[1] 5i3c.a 4.0 3.8 2.7 2.6 2.5 2.8 2.4 2.3 2.5 2.1 2.3 2.3 2.5 3.2 2.7 2.1 2.3 3.8 2.8 3.9 2.8 0.6 3.6
0
2.4
[1] 5iu6.a 3.1 3.1 2.0 0.8 0.8 1.7 1.0 0.9 1.9 1.3 1.0 1.0 0.8 2.3 2.3 0.8 1.2 2.9 2.3 3.1 2.1 0.7 2.8 2.4
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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