MolNFT v1 · #178375 · protein
Cryo-EM structure of the human cholesterol transporter ABCG1 in complex with cholesterol
7FDV · ATP-binding cassette sub-family G member 1: “Cryo-EM structure of the human cholesterol transporter ABCG1 in complex with cholesterol”. Electron microscopy, 3 ligands (ATP, HWP, CLR), 11 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 7FDV
- Type
- protein
- Length
- 1,058 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-binding cassette sub-family G member 1
- EC
- 7.6.2.-
- UniProt
- P45844
- Ligands
- ATP, HWP, CLR
- Pockets
- 11 · best druggability 0.76
Structure
electron microscopy · 1 distinct chain · 40% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | ATP-binding cassette sub-family G member 1 (EC 7.6.2.-) | protein | 529 | 40% helix, 9% strand | P45844 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, D
- HWP · [(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate · ligand · 2 copies · chains A, D
- CLR · Cholesterol · ligand · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 991 | 0.76 | 0.77 | 57 | CLR |
| 2 | 608 | 0.73 | 0.80 | 66 | empty |
| 3 | 185 | 0.69 | 0.87 | 39 | empty |
| 4 | 169 | 0.68 | 0.88 | 29 | empty |
| 5 | 149 | 0.68 | 0.88 | 27 | empty |
Interfaces
1 interface between chains.
- A–D · 2040 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 7FDV · Cryo-EM structure of the human cholesterol transporter ABCG1 in complex with cholesterol · the same entry in another collection · chain A against A, TM-score 1.00
- P45844 · AlphaFold monomer V2.0 prediction for ATP-binding cassette sub-family G member 1 (P45844) · a predicted model of the same protein · chain D against A, TM-score 0.96
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 P45844
- Elsewhere: RCSB PDB 7FDV · PDBe 7FDV · UniProt P45844
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