MolNFT v1 · #186269 · protein
The structure of human ABCG5/ABCG8 purified from mammalian cells
7R8A · ATP-binding cassette sub-family G member 5: “The structure of human ABCG5/ABCG8 purified from mammalian cells”. Electron microscopy, 1 ligand (CLR), 20 pockets (best druggability 0.80). MolNFT v1 #186269 on GenesisL1: 3D structure…
- PDB
- 7R8A
- Type
- protein
- Length
- 1,332 residues
- Chains
- 4
- Method
- electron microscopy
- 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 0.80
Structure
electron microscopy · 4 distinct chains · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-binding cassette sub-family G member 5 (EC 7.6.2.-) | protein | 584 | 55% helix, 11% strand | Q9H222 |
| B | ATP-binding cassette sub-family G member 8 (EC 7.6.2.-) | protein | 529 | 53% helix, 10% strand | Q9H221 |
| C | 2C7 Fab heavy chain | protein | 114 | 3% helix, 39% strand | — |
| D | 2C7 Fab light chain | protein | 105 | 3% helix, 50% strand | — |
Ligands and binding sites
- CLR · Cholesterol · ligand · chains 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, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 167 | 0.80 | 0.95 | 25 | empty |
| 2 | 949 | 0.79 | 0.81 | 75 | CLR |
| 3 | 543 | 0.75 | 0.83 | 53 | empty |
| 4 | 387 | 0.75 | 0.85 | 41 | empty |
| 5 | 64 | 0.68 | 0.96 | 21 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2578 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 792 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 425 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 397 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 30 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7R8A · The structure of human ABCG5/ABCG8 purified from mammalian cells · the same entry in another collection · chain A against A, 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 A against A, TM-score 0.98
- 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 7R8A · PDBe 7R8A · UniProt Q9H222 · UniProt Q9H221
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