MolNFT v1 · #166695 · protein
Cryo-EM structure of wild-type bovine multidrug resistance protein 1 (MRP1) under active turnover conditions
6UY0 · Multidrug resistance-associated protein 1: “Cryo-EM structure of wild-type bovine multidrug resistance protein 1 (MRP1) under active turnover conditions”. Electron microscopy, 4 ligands (CLR, ATP, ADP), 20 pockets (best druggability…
- PDB
- 6UY0
- Type
- protein
- Length
- 1,210 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidrug resistance-associated protein 1
- EC
- 7.6.2.2, 7.6.2.3
- UniProt
- Q8HXQ5
- Ligands
- CLR, ATP, ADP, MG
- Pockets
- 20 · best druggability 0.89
Structure
electron microscopy · 1 distinct chain · 61% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Multidrug resistance-associated protein 1 (EC 7.6.2.2, 7.6.2.3) | protein | 1210 | 61% helix, 10% strand | Q8HXQ5 |
Ligands and binding sites
- CLR · Cholesterol · ligand · 3 copies · chains A
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- ADP · Adenosine-5'-diphosphate · ligand · 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, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1085 | 0.89 | 0.90 | 117 | empty |
| 2 | 916 | 0.88 | 0.90 | 112 | ADP, MG |
| 3 | 433 | 0.73 | 0.83 | 50 | empty |
| 4 | 440 | 0.68 | 0.79 | 54 | CLR |
| 5 | 206 | 0.62 | 0.82 | 21 | empty |
Compared structures
- 6UY0 · Cryo-EM structure of wild-type bovine multidrug resistance protein 1 (MRP1) under active… · 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 0.87
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 6UY0 · PDBe 6UY0 · UniProt Q8HXQ5
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