MolNFT v1 · #136123 · protein
Cryo-EM structure of bovine multidrug resistance protein 1 (MRP1) bound to leukotriene C4
5UJA · Bovine multidrug resistance protein 1 (MRP1),MULTIDRUG…: “Cryo-EM structure of bovine multidrug resistance protein 1 (MRP1) bound to leukotriene C4”. Electron microscopy, 1 ligand (LTX), 18 pockets (best druggability 0.87). MolNFT…
- PDB
- 5UJA
- Type
- protein
- Length
- 1,295 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bovine multidrug resistance protein 1 (MRP1),MULTIDRUG resistance-associated protein 1
- UniProt
- Q8HXQ5
- Ligands
- LTX
- Pockets
- 18 · best druggability 0.87
Structure
electron microscopy · 1 distinct chain · 65% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bovine multidrug resistance protein 1 (MRP1),MULTIDRUG resistance-associated protein 1 | protein | 1295 | 65% helix, 8% strand | Q8HXQ5 |
Ligands and binding sites
- LTX · (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11, 14-tetraenoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 998 | 0.87 | 0.88 | 100 | LTX |
| 2 | 147 | 0.72 | 0.91 | 35 | empty |
| 3 | 803 | 0.71 | 0.77 | 64 | empty |
| 4 | 260 | 0.64 | 0.81 | 20 | empty |
| 5 | 343 | 0.64 | 0.79 | 42 | empty |
Compared structures
- 5UJA · Cryo-EM structure of bovine multidrug resistance protein 1 (MRP1) bound to leukotriene C4 · 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 0.95
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 5UJA · PDBe 5UJA · UniProt Q8HXQ5
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