Research workbench
The structure of human ABCG1 E242Q complexed with ATP
Analyse The structure of human ABCG1 E242Q complexed with ATP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7R8E
- Type
- protein
- Length
- 1,096 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoform 4 of ATP-binding cassette sub-family G member 1
- EC
- 7.6.2.-
- UniProt
- P45844
- Ligands
- ATP, CLR, MG
- Pockets
- 12 · best druggability 0.75
Structure
electron microscopy · 1 distinct chain · 53% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Isoform 4 of ATP-binding cassette sub-family G member 1 (EC 7.6.2.-) | protein | 548 | 53% helix, 7% strand | P45844 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- CLR · Cholesterol · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 598 | 0.75 | 0.82 | 67 | ATP, MG |
| 2 | 229 | 0.70 | 0.86 | 31 | empty |
| 3 | 238 | 0.70 | 0.86 | 30 | empty |
| 4 | 552 | 0.69 | 0.78 | 49 | empty |
| 5 | 328 | 0.65 | 0.80 | 45 | empty |
Interfaces
1 interface between chains.
- A–B · 3355 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7R8E · The structure of human ABCG1 E242Q complexed with ATP · 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 B against A, TM-score 0.88
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 7R8E · PDBe 7R8E · UniProt P45844
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