MolNFT v1 · #109078 · protein

Crystal structure of 14-3-3 zeta with chibby peptide

4WRQ · 14-3-3 protein ZETA/DELTA: “Crystal structure of 14-3-3 zeta with chibby peptide”. X-ray diffraction, 5 pockets (best druggability 0.62). MolNFT v1 #109078 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4WRQ
Type: protein
Length: 464 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 14-3-3 protein ZETA/DELTA; Chibby
UniProt: P63104
Pockets: 5 · best druggability 0.62

Structure

x-ray diffraction · 4 distinct chains · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	14-3-3 protein ZETA/DELTA	protein	220	81% helix, 0% strand	P63104
B	14-3-3 protein ZETA/DELTA	protein	229	81% helix, 0% strand	P63104
C	Chibby	protein	7	0% helix, 0% strand	—
D	Chibby	protein	8	38% helix, 0% strand	—

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	226	0.62	0.82	31	empty
2	240	0.61	0.81	27	empty
3	325	0.53	0.75	26	empty
4	64	0.38	0.78	10	empty
5	69	0.28	0.73	21	empty

Interfaces

3 interfaces between chains.

A–B · 1027 Å² buried · 10 hydrogen bonds · protein-protein
B–D · 500 Å² buried · 9 hydrogen bonds · protein-protein
A–C · 475 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

4WRQ · Crystal Structure of 14-3-3 zeta with Chibby peptide · the same entry in another collection · chain A against A, 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 B against A, TM-score 0.99

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 4WRQ · PDBe 4WRQ · UniProt P63104

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