MolNFT v1 · #140910 · protein

The structure of 14-3-3 and pnumb peptide

5YQG · 14-3-3 protein eta: “The structure of 14-3-3 and pnumb peptide”. X-ray diffraction, 6 pockets (best druggability 0.83). MolNFT v1 #140910 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5YQG
Type: protein
Length: 966 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 14-3-3 protein eta; Peptide from protein numb homolog
UniProt: P68510, Q9QZS3
Pockets: 6 · best druggability 0.83

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	14-3-3 protein eta	protein	225	77% helix, 0% strand	P68510
B	14-3-3 protein eta	protein	236	84% helix, 0% strand	P68510
C	14-3-3 protein eta	protein	237	84% helix, 0% strand	P68510
D	14-3-3 protein eta	protein	227	82% helix, 0% strand	P68510
E	Peptide from protein numb homolog	protein	22	0% helix, 0% strand	Q9QZS3
F	Peptide from protein numb homolog	protein	19	32% helix, 0% strand	Q9QZS3

Pockets

6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1010	0.83	0.84	99	empty
2	251	0.65	0.83	37	empty
3	229	0.56	0.78	25	empty
4	250	0.56	0.77	36	empty
5	167	0.55	0.80	24	empty

Interfaces

9 interfaces between chains.

A–B · 1102 Å² buried · 14 hydrogen bonds · protein-protein
C–D · 1087 Å² buried · 13 hydrogen bonds · protein-protein
A–E · 394 Å² buried · 9 hydrogen bonds · protein-protein
D–F · 381 Å² buried · 8 hydrogen bonds · protein-protein
B–E · 378 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (phosphorylation).

Compared structures

5YQG · The structure of 14-3-3 and pNumb peptide · the same entry in another collection · chain F against F, TM-score 1.00
P68510 · AlphaFold monomer V2.0 prediction for 14-3-3 protein eta (P68510) · a predicted model of the same protein · chain D against A, TM-score 0.99
Q9QZS3 · AlphaFold monomer V2.0 prediction for protein numb homolog (Q9QZS3) · a predicted model of the same protein · chain F against A, TM-score 0.25

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 P68510
Every structure of UniProt Q9QZS3
Elsewhere: RCSB PDB 5YQG · PDBe 5YQG · UniProt P68510 · UniProt Q9QZS3

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