Research workbench
Cryo-EM structure of ABCG1 E242Q mutant with ATP and cholesteryl hemisuccinate bound
Analyse Cryo-EM structure of ABCG1 E242Q mutant with ATP and cholesteryl hemisuccinate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7OZ1
- Type
- protein
- Length
- 1,088 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
- Y01, ATP, PEE
- Pockets
- 12 · best druggability 0.78
Structure
electron microscopy · 1 distinct chain · 53% helix, 10% 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 | 544 | 53% helix, 10% strand | P45844 |
Ligands and binding sites
- Y01 · Cholesterol hemisuccinate · ligand · 8 copies · chains A, B
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine · ligand · 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 947 | 0.78 | 0.79 | 50 | Y01 |
| 2 | 431 | 0.70 | 0.81 | 50 | empty |
| 3 | 185 | 0.61 | 0.83 | 28 | empty |
| 4 | 194 | 0.60 | 0.81 | 28 | empty |
| 5 | 282 | 0.55 | 0.76 | 43 | empty |
Interfaces
1 interface between chains.
- A–B · 2514 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7OZ1 · Cryo-EM structure of ABCG1 E242Q mutant with ATP and cholesteryl hemisuccinate bound · 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 A against A, TM-score 0.97
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 7OZ1 · PDBe 7OZ1 · UniProt P45844
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