MolNFT v1 · #186267 · protein
The structure of human ABCG5-I529W/ABCG8-wt
7R88 · ATP-binding cassette sub-family G member 5: “The structure of human ABCG5-I529W/ABCG8-wt”. Electron microscopy, 15 pockets (best druggability 0.82). MolNFT v1 #186267 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7R88
- Type
- protein
- Length
- 1,368 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
- Pockets
- 15 · best druggability 0.82
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 | 587 | 56% helix, 11% strand | Q9H222 |
| B | ATP-binding cassette sub-family G member 8 (EC 7.6.2.-) | protein | 562 | 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 | — |
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1056 | 0.82 | 0.83 | 113 | empty |
| 2 | 484 | 0.76 | 0.85 | 59 | empty |
| 3 | 351 | 0.69 | 0.82 | 34 | empty |
| 4 | 321 | 0.62 | 0.79 | 44 | empty |
| 5 | 264 | 0.54 | 0.76 | 46 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2747 Ų buried · 28 hydrogen bonds · protein-protein
- C–D · 826 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 442 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 375 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 49 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7R88 · The structure of human ABCG5-I529W/ABCG8-WT · 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 0.96
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 Q9H222
- Every structure of UniProt Q9H221
- Elsewhere: RCSB PDB 7R88 · PDBe 7R88 · UniProt Q9H222 · UniProt Q9H221
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