MolNFT v1 · #167854 · protein
Structure of ABCG2 bound to SN38
6VXJ · Broad substrate specificity ATP-binding cassette…: “Structure of ABCG2 bound to SN38”. Electron microscopy, 2 ligands (CLR, RS4), 11 pockets (best druggability 0.84). MolNFT v1 #167854 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6VXJ
- Type
- protein
- Length
- 1,132 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, RS4
- Pockets
- 11 · best druggability 0.84
Structure
electron microscopy · 1 distinct chain · 47% helix, 10% 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 | 566 | 47% helix, 10% strand | Q9UNQ0 |
Ligands and binding sites
- CLR · Cholesterol · ligand · 2 copies · chains A, B
- RS4 · 7-ethyl-10-hydroxycamptothecin · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 321 | 0.84 | 0.94 | 36 | empty |
| 2 | 1018 | 0.81 | 0.82 | 88 | RS4 |
| 3 | 576 | 0.67 | 0.77 | 60 | empty |
| 4 | 308 | 0.66 | 0.81 | 33 | empty |
| 5 | 162 | 0.43 | 0.74 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 2324 Ų buried · 23 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 6VXJ · PDBe 6VXJ · UniProt Q9UNQ0
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