MolNFT v1 · #144053 · protein
Cryo-EM structure of ATP-bound, outward-facing bovine multidrug resistance protein 1 (MRP1)
6BHU · Multidrug resistance-associated protein 1: “Cryo-EM structure of ATP-bound, outward-facing bovine multidrug resistance protein 1 (MRP1)”. Electron microscopy, 3 ligands (CLR, ATP, MG), 20 pockets (best druggability 0.89). MolNFT v1…
- PDB
- 6BHU
- Type
- protein
- Length
- 1,328 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidrug resistance-associated protein 1
- UniProt
- Q8HXQ5
- Ligands
- CLR, ATP, MG
- Pockets
- 20 · best druggability 0.89
Structure
electron microscopy · 1 distinct chain · 63% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Multidrug resistance-associated protein 1 | protein | 1328 | 63% helix, 8% strand | Q8HXQ5 |
Ligands and binding sites
- CLR · Cholesterol · ligand · 3 copies · chains A
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1013 | 0.89 | 0.91 | 121 | ATP, MG |
| 2 | 1084 | 0.88 | 0.89 | 95 | empty |
| 3 | 339 | 0.76 | 0.86 | 42 | empty |
| 4 | 296 | 0.72 | 0.86 | 45 | empty |
| 5 | 542 | 0.69 | 0.78 | 60 | CLR |
Compared structures
- 6BHU · Cryo-EM structure of ATP-bound, outward-facing bovine multidrug resistance protein 1… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8HXQ5 · AlphaFold monomer V2.0 prediction for multidrug resistance-associated protein 1 (Q8HXQ5) · a predicted model of the same protein · chain A against A, TM-score 0.86
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 Q8HXQ5
- Elsewhere: RCSB PDB 6BHU · PDBe 6BHU · UniProt Q8HXQ5
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