MolNFT v1 · #142894 · protein

Crystal structure of the dhr-2 domain of DOCK7 in complex with CDC42

6AJ4 · Dedicator of cytokinesis protein 7: “Crystal structure of the dhr-2 domain of DOCK7 in complex with CDC42”. X-ray diffraction, 20 pockets (best druggability 0.72). MolNFT v1 #142894 on GenesisL1: 3D structure, binding sites and…

PDB: 6AJ4
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 0.72

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E, G	Dedicator of cytokinesis protein 7	protein	275	45% helix, 23% strand	Q96N67
B, D, F, H	Cell division control protein 42 homolog	protein	178	38% helix, 21% 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	541	0.72	0.80	44	empty
2	696	0.71	0.78	53	empty
3	1044	0.71	0.75	78	empty
4	750	0.71	0.77	56	empty
5	609	0.70	0.78	48	empty

Interfaces

14 interfaces between chains.

C–D · 2133 Å² buried · 24 hydrogen bonds · protein-protein
E–F · 2126 Å² buried · 20 hydrogen bonds · protein-protein
G–H · 2089 Å² buried · 24 hydrogen bonds · protein-protein
A–B · 2076 Å² buried · 25 hydrogen bonds · protein-protein
C–E · 342 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

6AJ4 · Crystal structure of the DHR-2 domain of DOCK7 in complex 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 0.96

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 6AJ4 · PDBe 6AJ4 · UniProt Q96N67 · UniProt P60953

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