MolNFT v1 · #151342 · protein
Crystal structure of farnesoid X receptor (fxr) with bound ncoa-2 peptide and cdca
6HL1 · Bile acid receptor: “Crystal structure of farnesoid X receptor (fxr) with bound ncoa-2 peptide and cdca”. X-ray diffraction, 1 ligand (JN3), 2 pockets (best druggability 0.83). MolNFT v1 #151342 on GenesisL1: 3D structure, binding…
- PDB
- 6HL1
- Type
- protein
- Length
- 238 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bile acid receptor; Ncoa-2 peptide (nuclear receptor coactivator 2), lys-glu…
- UniProt
- Q96RI1
- Ligands
- JN3
- Pockets
- 2 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bile acid receptor | protein | 225 | 71% helix, 0% strand | Q96RI1 |
| B | Ncoa-2 peptide (nuclear receptor coactivator 2), lys-glu- asn-ala-leu-leu-arg-tyr-leu-leu-asp-lys-asp | protein | 13 | 62% helix, 0% strand | — |
Ligands and binding sites
- JN3 · Chenodeoxycholic 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 413 | 0.83 | 0.90 | 45 | JN3 |
| 2 | 204 | 0.50 | 0.77 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 633 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6HL1 · Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA · 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
- Elsewhere: RCSB PDB 6HL1 · PDBe 6HL1 · UniProt Q96RI1
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