MolNFT v1 · #184245 · protein
ABCG2 topotecan turnover-1 state
7OJH · Broad substrate specificity ATP-binding cassette…: “ABCG2 topotecan turnover-1 state”. Electron microscopy, 3 ligands (ATP, CLR, TTC), 12 pockets (best druggability 0.82). MolNFT v1 #184245 on GenesisL1: 3D structure, binding sites…
- PDB
- 7OJH
- Type
- protein
- Length
- 1,138 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
- ATP, CLR, TTC
- Pockets
- 12 · best druggability 0.82
Structure
electron microscopy · 1 distinct chain · 57% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Broad substrate specificity ATP-binding cassette transporter ABCG2 (EC 7.6.2.2) | protein | 569 | 57% helix, 11% strand | Q9UNQ0 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains B, A
- CLR · Cholesterol · ligand · 2 copies · chains B, A
- TTC · (S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]inolizino[1,2-B]-quinoline-3, 14(4H,12H)-dione · ligand · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1080 | 0.82 | 0.83 | 89 | TTC |
| 2 | 462 | 0.82 | 0.89 | 40 | empty |
| 3 | 461 | 0.72 | 0.82 | 48 | empty |
| 4 | 152 | 0.45 | 0.76 | 18 | empty |
| 5 | 141 | 0.44 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- B–A · 2546 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
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 7OJH · PDBe 7OJH · UniProt Q9UNQ0
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