Research workbench
Ligand binding to farnesoid-X-receptor
Analyse Ligand binding to farnesoid-X-receptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5Q17
- Type
- protein
- Length
- 236 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bile acid receptor; Nuclear receptor coactivator peptide SRC2
- UniProt
- Q96RI1, A0A0B6XJZ8
- Ligands
- 9MV
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bile acid receptor | protein | 224 | 75% helix, 0% strand | Q96RI1 |
| B | Nuclear receptor coactivator peptide SRC2 | protein | 12 | 58% helix, 0% strand | A0A0B6XJZ8 |
Ligands and binding sites
- 9MV · 4-({5-bromo-2-oxo-1'-[(thiophen-2-yl) sulfonyl]spiro[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 | 407 | 0.82 | 0.90 | 46 | 9MV |
| 2 | 131 | 0.42 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 553 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5Q17 · 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 A0A0B6XJZ8
- Elsewhere: RCSB PDB 5Q17 · PDBe 5Q17 · UniProt Q96RI1 · UniProt A0A0B6XJZ8
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