Research workbench
Crystal structure of ABCG5/G8 in complex with cholesterol
Analyse Crystal structure of ABCG5/G8 in complex with cholesterol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 8CUB
- Type
- protein
- Length
- 2,334 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-binding cassette sub-family G member 5; ATP-binding cassette sub-family G member 8
- EC
- 7.6.2.-
- UniProt
- Q9H222, Q9H221
- Ligands
- CLR
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, A | ATP-binding cassette sub-family G member 5 (EC 7.6.2.-) | protein | 588 | 56% helix, 11% strand | Q9H222 |
| D, B | ATP-binding cassette sub-family G member 8 (EC 7.6.2.-) | protein | 579 | 54% helix, 11% strand | Q9H221 |
Ligands and binding sites
- CLR · Cholesterol · ligand · 2 copies · chains C, D, A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 564 | 0.82 | 0.87 | 53 | empty |
| 2 | 571 | 0.79 | 0.85 | 43 | empty |
| 3 | 112 | 0.77 | 0.97 | 21 | empty |
| 4 | 592 | 0.77 | 0.83 | 48 | empty |
| 5 | 262 | 0.75 | 0.88 | 40 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2762 Ų buried · 34 hydrogen bonds · protein-protein
- C–D · 2716 Ų buried · 31 hydrogen bonds · protein-protein
- C–A · 1435 Ų buried · 4 hydrogen bonds · protein-protein
- D–B · 608 Ų buried · 0 hydrogen bonds · protein-protein
- D–A · 22 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 8CUB · Crystal Structure of ABCG5/G8 in Complex with Cholesterol · the same entry in another collection · chain B against B, TM-score 1.00
- Q9H222 · AlphaFold monomer V2.0 prediction for ATP-binding cassette sub-family G member 5 (Q9H222) · a predicted model of the same protein · chain C against A, TM-score 0.99
- Q9H221 · AlphaFold monomer V2.0 prediction for ATP-binding cassette sub-family G member 8 (Q9H221) · a predicted model of the same protein · chain B 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 Q9H222
- Every structure of UniProt Q9H221
- Elsewhere: RCSB PDB 8CUB · PDBe 8CUB · UniProt Q9H222 · UniProt Q9H221
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