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1433F_HUMAN_1_246_pep

14-3-3 protein eta [14-3-3 family]

Composition of the binding site

Protein chains monomer
A1 (1433F_HUMAN):50, 57, 125, 132, 133, 174, 177, 178, 181, 185, 221, 222, 225, 229, 23250, 57, 125, 132, 133, 174, 177, 178, 181, 185, 221, 222, 225, 229, 232

Full PDB list

2c63, 2c74, 5yqg

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
K
5
0
R
5
7
K
1
2
5
R
1
3
2
Y
1
3
3
L
1
7
7
N
1
7
8
V
1
8
1
E
1
8
5
I
2
2
2
L
2
2
5
N
2
2
9
L
2
3
2
[1]2c63.a IsepLP34 . . . . . . . . . . . . .
[1]2c74.a QRsepAP33 . . . . . . . . . . . . .
[1]5yqg.b R-GsepFR32 . . . . . . . . . . . . .
[1]5yqg.c QGsepFR36 . . . . . . . . . . . . .
[1]5yqg.d QLsepLR42 . . . . . . . . . . . . .

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
K
5
0
R
5
7
K
1
2
5
R
1
3
2
Y
1
3
3
G
1
7
4
L
1
7
7
N
1
7
8
V
1
8
1
E
1
8
5
L
2
2
1
I
2
2
2
L
2
2
5
N
2
2
9
L
2
3
2
[1]2c63.a . . . . . . . . . . . . . . .
[1]2c74.a . . . . . . . . . . . . . . .
[1]5yqg.b . . . . . . . . . . . . . . .
[1]5yqg.c . . . . . . . . . . . . . . .
[1]5yqg.d . . . . . . . . . . . . . . .

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
2c63.a:IsepLP
2c74.a:QRsepAP
5yqg.b:R-GsepFR
5yqg.c:QGsepFR
5yqg.d:QLsepLR
[1] 2c63.a
0
0 0 0 0.1
[1] 2c74.a 0.4
0
0.2 0.1 0.3
[1] 5yqg.b 0.1 0
0.1
0.1 0.7
[1] 5yqg.c 0 0 0.1
0.1
0.6
[1] 5yqg.d 0.1 0.1 0.1 0.1
0.2
[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
2c63.a
2c74.a
5yqg.b
5yqg.c
5yqg.d
[1] 2c63.a
0
.04 .04 .03 .01
[1] 2c74.a .04
0
.07 .06 .03
[1] 5yqg.b .04 .07
0
.01 .04
[1] 5yqg.c .03 .06 .01
0
.03
[1] 5yqg.d .01 .03 .04 .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 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
2c63.a
2c74.a
5yqg.b
5yqg.c
5yqg.d
[1] 2c63.a
0
0.3 0.3 0.3 0.2
[1] 2c74.a 0.3
0
0.3 0.3 0.4
[1] 5yqg.b 0.3 0.3
0
0.1 0.4
[1] 5yqg.c 0.3 0.3 0.1
0
0.4
[1] 5yqg.d 0.2 0.4 0.4 0.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 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
2c63.a
2c74.a
5yqg.b
5yqg.c
5yqg.d
[1] 2c63.a
0
0.5 0.5 0.6 0.5
[1] 2c74.a 0.5
0
0.6 0.7 0.7
[1] 5yqg.b 0.5 0.6
0
0.4 0.5
[1] 5yqg.c 0.6 0.7 0.4
0
0.5
[1] 5yqg.d 0.5 0.7 0.5 0.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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