MolNFT v1 · #176891 · protein

Crystal structure of bch domain from S. pombe

7E0W · Putative rho GTPase-activating protein C1565.02C: “Crystal structure of bch domain from S. pombe”. X-ray diffraction, 8 pockets (best druggability 0.89). MolNFT v1 #176891 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 7E0W
Type: protein
Length: 600 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative rho GTPase-activating protein C1565.02C
UniProt: Q9P3B1
Pockets: 8 · best druggability 0.89

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative rho GTPase-activating protein C1565.02C	protein	151	46% helix, 20% strand	Q9P3B1
C, D	Putative rho GTPase-activating protein C1565.02C	protein	149	41% helix, 19% strand	Q9P3B1

Ligands and binding sites

PG4 · Tetraethylene glycol · additive · 4 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1161	0.89	0.90	110	PG4
2	221	0.77	0.90	29	PG4
3	203	0.76	0.91	28	PG4
4	556	0.66	0.77	66	empty
5	127	0.57	0.84	22	empty

Interfaces

6 interfaces between chains.

A–D · 2976 Å² buried · 38 hydrogen bonds · protein-protein
B–C · 2898 Å² buried · 38 hydrogen bonds · protein-protein
B–D · 565 Å² buried · 0 hydrogen bonds · protein-protein
A–C · 553 Å² buried · 0 hydrogen bonds · protein-protein
A–B · 543 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

7E0W · Crystal Structure of BCH domain from S. pombe · the same entry in another collection · chain A against A, TM-score 1.00
Q9P3B1 · AlphaFold monomer V2.0 prediction for putative rho GTPase-activating protein C1565.02C… · a predicted model of the same protein · chain C against A, TM-score 0.63

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 Q9P3B1
Elsewhere: RCSB PDB 7E0W · PDBe 7E0W · UniProt Q9P3B1

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