MolNFT v1 · #142911 · protein

DOCK7 mutant I1836Y complexed with CDC42

6AJL · Dedicator of cytokinesis protein 7: “DOCK7 mutant I1836Y complexed with CDC42”. X-ray diffraction, 20 pockets (best druggability 0.77). MolNFT v1 #142911 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6AJL
Type: protein
Length: 1,812 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dedicator of cytokinesis protein 7; Cell division control protein 42 homolog
UniProt: Q96N67, P60953
Pockets: 20 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E, G	Dedicator of cytokinesis protein 7	protein	275	47% helix, 23% strand	Q96N67
B, D, F, H	Cell division control protein 42 homolog	protein	178	38% helix, 22% strand	P60953

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1016	0.77	0.79	85	empty
2	876	0.74	0.78	82	empty
3	814	0.73	0.78	54	empty
4	549	0.71	0.80	45	empty
5	617	0.68	0.77	66	empty

Interfaces

13 interfaces between chains.

A–B · 2164 Å² buried · 30 hydrogen bonds · protein-protein
E–F · 2163 Å² buried · 29 hydrogen bonds · protein-protein
C–D · 2154 Å² buried · 27 hydrogen bonds · protein-protein
G–H · 2152 Å² buried · 28 hydrogen bonds · protein-protein
C–E · 363 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

6AJL · DOCK7 mutant I1836Y complexed with Cdc42 · the same entry in another collection · chain H against H, TM-score 1.00
Q96N67 · AlphaFold monomer V2.0 prediction for dedicator of cytokinesis protein 7 (Q96N67) · a predicted model of the same protein · chain E against A, TM-score 0.97

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 Q96N67
Every structure of UniProt P60953
Elsewhere: RCSB PDB 6AJL · PDBe 6AJL · UniProt Q96N67 · UniProt P60953

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