Research workbench

ABCG2 E1S turnover-2 state

Analyse ABCG2 E1S turnover-2 state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7OJ8
Type: protein
Length: 1,150 residues
Chains: 2
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Broad substrate specificity ATP-binding cassette transporter ABCG2
EC: 7.6.2.2
UniProt: Q9UNQ0
Ligands: CLR, ATP, FY5
Pockets: 13 · best druggability 0.84

Structure

electron microscopy · 1 distinct chain · 54% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Broad substrate specificity ATP-binding cassette transporter ABCG2 (EC 7.6.2.2)	protein	575	54% helix, 9% strand	Q9UNQ0

Ligands and binding sites

CLR · Cholesterol · ligand · 4 copies · chains A, B
ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
FY5 · estrone 3-sulfate · ligand · chains A, B

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

Pockets

13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	991	0.84	0.85	81	FY5
2	446	0.80	0.88	35	empty
3	939	0.74	0.78	105	ATP
4	87	0.74	0.96	26	empty
5	75	0.73	0.97	26	empty

Interfaces

1 interface between chains.

A–B · 2774 Å² buried · 28 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

7OJ8 · ABCG2 E1S turnover-2 state · the same entry in another collection · chain A against A, TM-score 1.00
Q9UNQ0 · AlphaFold monomer V2.0 prediction for broad substrate specificity ATP-binding cassette… · a predicted model of the same protein · chain A against A, TM-score 0.95

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 Q9UNQ0
Elsewhere: RCSB PDB 7OJ8 · PDBe 7OJ8 · UniProt Q9UNQ0

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