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EP300_HUMAN_1043_1161

Histone acetyltransferase p300

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (EP300_HUMAN):D: Bromo (1070, 1073:1075, 1077:1080, 1083, 1084, 1086, 1089, 1128, 1131, 1132, 1137, 1138)
1141
1070, 1073:1075, 1077:1080, 1083, 1084, 1086, 1089, 1128, 1131, 1132, 1137, 1138, 1141

Full PDB list

3i3j, 4bhw, 5bt3, 5lkt, 5lku, 5lkx, 5lkz, 5lpk, 5lpm, 5nu5 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
P
1
0
7
0
L
1
0
7
3
P
1
0
7
4
F
1
0
7
5
Q
1
0
7
7
P
1
0
7
8
V
1
0
7
9
D
1
0
8
0
L
1
0
8
3
L
1
0
8
4
I
1
0
8
6
Y
1
0
8
9
A
1
1
2
8
Y
1
1
3
1
N
1
1
3
2
R
1
1
3
7
V
1
1
3
8
Y
1
1
4
1
[1]5bt3.a 2lo36 . . . . . . . . . . . . . . . . . .
[1]5lku.a none . . . . . . . . . . . . . . . . . .
[1]5lpk.d xdm22 . . . . . . . . . . . . . . . . . .
[1]5lpm.a 71y,71y52 . . . . . . . . . . . . . . . . . .
[1]5lpm.b 71y26 . . . . . . . . . . . . . . . . . .
[1]5nu5.a 99e27 . . . . . . . . . . . . . . . . . .

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

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PDB.ch
A1
P
1
0
7
0
L
1
0
7
3
P
1
0
7
4
F
1
0
7
5
Q
1
0
7
7
P
1
0
7
8
V
1
0
7
9
D
1
0
8
0
L
1
0
8
3
L
1
0
8
4
I
1
0
8
6
Y
1
0
8
9
A
1
1
2
8
Y
1
1
3
1
N
1
1
3
2
R
1
1
3
7
V
1
1
3
8
Y
1
1
4
1
[1]5bt3.a . . . . . . . . . . . . . . . . . .
[1]5lku.a . . . . . . . . . . . . . . . . . .
[1]5lpk.d . . . . . . . . . . . . . . . . . .
[1]5lpm.a . . . . . . . . . . . . . . . . . .
[1]5lpm.b . . . . . . . . . . . . . . . . . .
[1]5nu5.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

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
5bt3.a:2lo
5lku.a is apo
5lpk.d:xdm
5lpm.a:71y
5lpm.b:71y
5nu5.a:99e
[1] 5bt3.a
0
- 0.1 0.6 0.2 0.1
[1] 5lku.a 0
-
0.1 0.2 0 0.1
[1] 5lpk.d 0.7 -
0
0.1 0.5 0.3
[1] 5lpm.a 0.1 - 0
0.2
0.2 0
[1] 5lpm.b 0.1 - 0 0
0
0
[1] 5nu5.a 0.1 - 0 0.1 0.1
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
5bt3.a
5lku.a
5lpk.d
5lpm.a
5lpm.b
5nu5.a
[1] 5bt3.a
0
.04 .08 .04 .04 .04
[1] 5lku.a .04
0
.05 .02 .02 .02
[1] 5lpk.d .08 .05
0
.04 .04 .03
[1] 5lpm.a .04 .02 .04
0
.03 .02
[1] 5lpm.b .04 .02 .04 .03
0
.01
[1] 5nu5.a .04 .02 .03 .02 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 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
5bt3.a
5lku.a
5lpk.d
5lpm.a
5lpm.b
5nu5.a
[1] 5bt3.a
0
0.6 0.6 0.3 0.6 0.3
[1] 5lku.a 0.6
0
0.4 0.5 0.5 0.4
[1] 5lpk.d 0.6 0.4
0
0.4 0.3 0.4
[1] 5lpm.a 0.3 0.5 0.4
0
0.4 0.2
[1] 5lpm.b 0.6 0.5 0.3 0.4
0
0.4
[1] 5nu5.a 0.3 0.4 0.4 0.2 0.4
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

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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
5bt3.a
5lku.a
5lpk.d
5lpm.a
5lpm.b
5nu5.a
[1] 5bt3.a
0
1.3 0.9 0.9 0.9 0.7
[1] 5lku.a 1.3
0
1.4 1.0 1.2 1.2
[1] 5lpk.d 0.9 1.4
0
1.1 0.8 0.6
[1] 5lpm.a 0.9 1.0 1.1
0
1.1 0.9
[1] 5lpm.b 0.9 1.2 0.8 1.1
0
0.7
[1] 5nu5.a 0.7 1.2 0.6 0.9 0.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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