MolNFT v1 · #49441 · protein
Crystal structure of zebrafish liver bile acid-binding protein complexed with cholic acid
2QO4 · Liver-basic fatty acid binding protein: “Crystal structure of zebrafish liver bile acid-binding protein complexed with cholic acid”. X-ray diffraction, 1 ligand (CHD), 1 pocket (best druggability 0.81). MolNFT v1 #49441 on…
- PDB
- 2QO4
- Type
- protein
- Length
- 125 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Liver-basic fatty acid binding protein
- UniProt
- Q9I8L5
- Ligands
- CHD
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 60% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Liver-basic fatty acid binding protein | protein | 125 | 10% helix, 60% strand | Q9I8L5 |
Ligands and binding sites
- CHD · Cholic acid · ligand · chains A
- IPA · Isopropyl alcohol · additive · 3 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 518 | 0.81 | 0.88 | 43 | CHD, IPA, GOL |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2QO4 · Crystal structure of zebrafish liver bile acid-binding protein complexed with cholic acid · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I8L5 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein 10-a, liver basic… · a predicted model of the same protein · chain A against A, TM-score 0.94
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 Q9I8L5
- Elsewhere: RCSB PDB 2QO4 · PDBe 2QO4 · UniProt Q9I8L5
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