Research workbench
Fxr-lbd with HNC180 and SRC1
Analyse Fxr-lbd with HNC180 and SRC1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6A5X
- Type
- protein
- Length
- 240 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bile acid receptor; Nuclear receptor coactivator 1
- UniProt
- Q96RI1, B5MCN7
- Ligands
- 9R3, SO4
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bile acid receptor | protein | 229 | 74% helix, 0% strand | Q96RI1 |
| B | Nuclear receptor coactivator 1 | protein | 11 | 64% helix, 0% strand | B5MCN7 |
Ligands and binding sites
- 9R3 · 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
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 | 321 | 0.85 | 0.95 | 32 | 9R3 |
| 2 | 188 | 0.45 | 0.74 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 595 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6A5X · FXR-LBD with HNC180 and SRC1 · 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 B5MCN7
- Elsewhere: RCSB PDB 6A5X · PDBe 6A5X · UniProt Q96RI1 · UniProt B5MCN7
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