MolNFT v1 · #23305 · protein
Crystal structure of chicken liver basic fatty acid binding protein (bile acid binding protein) complexed with cholic acid
1TW4 · Fatty acid-binding protein: “Crystal structure of chicken liver basic fatty acid binding protein (bile acid binding protein) complexed…”. X-ray diffraction, 1 ligand (CHD), 3 pockets (best druggability 0.83). MolNFT v1 #23305 on…
- PDB
- 1TW4
- Type
- protein
- Length
- 250 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid-binding protein
- UniProt
- P80226
- Ligands
- CHD
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fatty acid-binding protein | protein | 125 | 11% helix, 59% strand | P80226 |
Ligands and binding sites
- CHD · Cholic acid · ligand · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 712 | 0.83 | 0.86 | 46 | CHD |
| 2 | 843 | 0.83 | 0.85 | 63 | CHD |
| 3 | 214 | 0.47 | 0.74 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 268 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1TW4 · Crystal Structure of Chicken Liver Basic Fatty Acid Binding Protein (Bile Acid Binding… · the same entry in another collection · chain A against A, TM-score 1.00
- P80226 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein, liver (P80226) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P80226
- Elsewhere: RCSB PDB 1TW4 · PDBe 1TW4 · UniProt P80226
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