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1433B_HUMAN_1_240_pep

14-3-3 protein beta/alpha [14-3-3 family]

Composition of the binding site

Protein chains monomer
A1 (1433B_HUMAN):43, 44, 47, 48, 51, 58, 59, 62, 66, 119, 122, 129, 130, 133, 167, 168, 171, 174, 175, 178, 182, 215, 218, 219, 222, 225, 226, 229, 23043, 44, 47, 48, 51, 58, 59, 62, 66, 119, 122, 129, 130, 133, 167, 168, 171, 174, 175, 178, 182, 215, 218, 219, 222, 225, 226, 229, 230

Full PDB list

2bq0, 2c23, 4dnk, 4gnt, 5f74, 5n10 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
R
4
3
N
4
4
S
4
7
V
4
8
K
5
1
R
5
8
S
5
9
R
6
2
S
6
6
F
1
1
9
K
1
2
2
R
1
2
9
Y
1
3
0
E
1
3
3
G
1
7
1
L
1
7
4
N
1
7
5
V
1
7
8
E
1
8
2
D
2
1
5
L
2
1
8
I
2
1
9
L
2
2
2
D
2
2
5
N
2
2
6
L
2
2
9
W
2
3
0
[1]2bq0.a none . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2c23.a GLLDALDLASK74 . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4gnt.a NAIWRAW65 . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5f74.a amp,NAIWRAW88 . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5n10.a I-FPAtpoV50 . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5n10.b FPAtpoV42 . . . . . . . . . . . . . . . . . . . . . . . . . . .

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
R
4
3
N
4
4
S
4
7
V
4
8
K
5
1
R
5
8
S
5
9
R
6
2
S
6
6
F
1
1
9
K
1
2
2
R
1
2
9
Y
1
3
0
E
1
3
3
P
1
6
7
I
1
6
8
G
1
7
1
L
1
7
4
N
1
7
5
V
1
7
8
E
1
8
2
D
2
1
5
L
2
1
8
I
2
1
9
L
2
2
2
D
2
2
5
N
2
2
6
L
2
2
9
W
2
3
0
[1]2bq0.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2c23.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4gnt.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5f74.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5n10.a . . . . . . . . . . . . . . . . . . . . . . * . . . . . .
[1]5n10.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
2bq0.a is apo
2c23.a:GLLDALDLASK
4gnt.a:NAIWRAW
5f74.a:NAIWRAW,amp
5n10.a:I-FPAtpoV
5n10.b:FPAtpoV
[1] 2bq0.a
-
1.2 0.5 0.1 0.9 0.9
[1] 2c23.a -
0.2
0.3 0.1 0.8 0.6
[1] 4gnt.a - 2.2
0.1
0 0.7 0.7
[1] 5f74.a - 1.6 0.4
0.2
1.2 0.9
[1] 5n10.a - 2.3 0.2 0.2
0
0.1
[1] 5n10.b - 2.8 0.5 0.5 0.4
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
2bq0.a
2c23.a
4gnt.a
5f74.a
5n10.a
5n10.b
[1] 2bq0.a
0
.05 .06 .05 .12 .11
[1] 2c23.a .05
0
.08 .06 .09 .11
[1] 4gnt.a .06 .08
0
.03 .07 .07
[1] 5f74.a .05 .06 .03
0
.08 .07
[1] 5n10.a .12 .09 .07 .08
0
.05
[1] 5n10.b .11 .11 .07 .07 .05
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

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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
2bq0.a
2c23.a
4gnt.a
5f74.a
5n10.a
5n10.b
[1] 2bq0.a
0
0.5 0.7 0.7 0.9 0.7
[1] 2c23.a 0.5
0
0.9 0.9 1.1 0.8
[1] 4gnt.a 0.7 0.9
0
0.2 0.4 0.5
[1] 5f74.a 0.7 0.9 0.2
0
0.4 0.5
[1] 5n10.a 0.9 1.1 0.4 0.4
0
0.6
[1] 5n10.b 0.7 0.8 0.5 0.5 0.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.6 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
2bq0.a
2c23.a
4gnt.a
5f74.a
5n10.a
5n10.b
[1] 2bq0.a
0
0.6 0.8 0.8 1.1 1.0
[1] 2c23.a 0.6
0
1.1 1.1 1.3 1.1
[1] 4gnt.a 0.8 1.1
0
0.3 0.8 0.8
[1] 5f74.a 0.8 1.1 0.3
0
0.8 0.8
[1] 5n10.a 1.1 1.3 0.8 0.8
0
0.7
[1] 5n10.b 1.0 1.1 0.8 0.8 0.7
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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