MolNFT v1 · #131293 · protein
Ligand binding to farnesoid-X-receptor
5Q0W · Bile acid receptor: “Ligand binding to farnesoid-X-receptor”. X-ray diffraction, 1 ligand (9LV), 2 pockets (best druggability 0.84). MolNFT v1 #131293 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5Q0W
- Type
- protein
- Length
- 240 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bile acid receptor; Cdna FLJ76652, highly similar to homo sapiens nuclear receptor…
- UniProt
- Q96RI1, A8K1V4
- Ligands
- 9LV
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bile acid receptor | protein | 228 | 73% helix, 0% strand | Q96RI1 |
| B | Cdna FLJ76652, highly similar to homo sapiens nuclear receptor coactivator 1 (NCOA1), transcript variant 2, mRNA | protein | 12 | 58% helix, 0% strand | A8K1V4 |
Ligands and binding sites
- 9LV · 4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl) benzoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 301 | 0.84 | 0.94 | 36 | 9LV |
| 2 | 136 | 0.43 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 589 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5Q0W · Ligand binding to FARNESOID-X-RECEPTOR · the same entry in another collection · chain A against A, TM-score 1.00
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 Q96RI1
- Every structure of UniProt A8K1V4
- Elsewhere: RCSB PDB 5Q0W · PDBe 5Q0W · UniProt Q96RI1 · UniProt A8K1V4
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