MolNFT v1 · #150515 · protein

Crystal structure of the BRCA1-a complex

6GVW · BRCA1-a complex subunit abraxas 1: “Crystal structure of the BRCA1-a complex”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.75). MolNFT v1 #150515 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6GVW
Type: protein
Length: 2,517 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: BRCA1-a complex subunit abraxas 1; Lys-63-specific deubiquitinase BRCC36; Brisc and…
EC: 3.4.19.-
UniProt: Q8BPZ8, P46737, Q8K3W0, Q3UI43, Q5U5Q9
Ligands: ZN
Pockets: 20 · best druggability 0.75

Structure

x-ray diffraction · 7 distinct chains · 35% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	BRCA1-a complex subunit abraxas 1	protein	312	34% helix, 23% strand	Q8BPZ8
B, G	Lys-63-specific deubiquitinase BRCC36 (EC 3.4.19.-)	protein	262	46% helix, 24% strand	P46737
C, H	Brisc and BRCA1-a complex member 2	protein	383	33% helix, 23% strand	Q8K3W0
D	Brisc and BRCA1-a complex member 1	protein	239	32% helix, 22% strand	Q3UI43
E, J	BRCA1-a complex subunit RAP80	protein	59	39% helix, 10% strand	Q5U5Q9
F	BRCA1-a complex subunit abraxas 1	protein	320	35% helix, 25% strand	Q8BPZ8
I	Brisc and BRCA1-a complex member 1	protein	238	32% helix, 21% strand	Q3UI43

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains B, G

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

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	97	0.75	0.96	27	empty
2	66	0.74	0.98	20	empty
3	474	0.73	0.83	56	empty
4	460	0.72	0.82	51	empty
5	453	0.72	0.82	47	empty

Interfaces

20 interfaces between chains.

A–B · 4455 Å² buried · 50 hydrogen bonds · protein-protein
F–G · 4390 Å² buried · 50 hydrogen bonds · protein-protein
H–J · 2102 Å² buried · 35 hydrogen bonds · protein-protein
C–E · 2076 Å² buried · 32 hydrogen bonds · protein-protein
C–D · 1898 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

6GVW · Crystal structure of the BRCA1-A complex · the same entry in another collection · chain J against J, TM-score 1.00
P46737 · AlphaFold monomer V2.0 prediction for lys-63-specific deubiquitinase BRCC36 (P46737) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 Q8BPZ8
Every structure of UniProt P46737
Every structure of UniProt Q8K3W0
Every structure of UniProt Q3UI43
Every structure of UniProt Q5U5Q9
Elsewhere: RCSB PDB 6GVW · PDBe 6GVW · UniProt Q8BPZ8 · UniProt P46737 · UniProt Q8K3W0 · UniProt Q3UI43 · UniProt Q5U5Q9

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