MolNFT v1 · #147506 · protein

14-3-3 with peptide

6EF5 · 14-3-3 protein ZETA/DELTA: “14-3-3 with peptide”. X-ray diffraction, 13 pockets (best druggability 0.66). MolNFT v1 #147506 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6EF5
Type: protein
Length: 935 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 14-3-3 protein ZETA/DELTA; Arg-ser-leu-sep-ala-pro-gly; Lys-leu-sep-leu-gln
UniProt: P63104
Pockets: 13 · best druggability 0.66

Structure

x-ray diffraction · 6 distinct chains · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	14-3-3 protein ZETA/DELTA	protein	227	80% helix, 0% strand	P63104
B	14-3-3 protein ZETA/DELTA	protein	229	81% helix, 0% strand	P63104
C	14-3-3 protein ZETA/DELTA	protein	223	81% helix, 0% strand	P63104
D	14-3-3 protein ZETA/DELTA	protein	232	80% helix, 0% strand	P63104
S, Q	Arg-ser-leu-sep-ala-pro-gly	protein	7	0% helix, 0% strand	—
R, P	Lys-leu-sep-leu-gln	protein	5	0% helix, 0% strand	—

Pockets

13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	518	0.66	0.77	46	empty
2	422	0.63	0.77	51	empty
3	196	0.62	0.83	27	empty
4	339	0.61	0.77	27	empty
5	345	0.59	0.77	28	empty

Interfaces

9 interfaces between chains.

A–B · 1008 Å² buried · 11 hydrogen bonds · protein-protein
C–D · 933 Å² buried · 10 hydrogen bonds · protein-protein
A–D · 687 Å² buried · 3 hydrogen bonds · protein-protein
B–C · 643 Å² buried · 2 hydrogen bonds · protein-protein
D–S · 559 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (phosphorylation).

Compared structures

6EF5 · 14-3-3 with peptide · the same entry in another collection · chain P against P, TM-score 1.00
P63104 · AlphaFold monomer V2.0 prediction for 14-3-3 protein ZETA/DELTA (P63104) · a predicted model of the same protein · chain D against A, TM-score 0.98

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P63104
Elsewhere: RCSB PDB 6EF5 · PDBe 6EF5 · UniProt P63104

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