MolNFT v1 · #66223 · protein
Identification and characterization of a small molecule inhibitor of fatty acid binding proteins
3HK1 · Fatty acid-binding protein, adipocyte: “Identification and characterization of a small molecule inhibitor of fatty acid binding proteins”. X-ray diffraction, 1 ligand (B64), 1 pocket (best druggability 0.84). MolNFT v1 #66223 on…
- PDB
- 3HK1
- Type
- protein
- Length
- 131 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid-binding protein, adipocyte
- UniProt
- P04117
- Ligands
- B64
- Pockets
- 1 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty acid-binding protein, adipocyte | protein | 131 | 15% helix, 59% strand | P04117 |
Ligands and binding sites
- B64 · 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid · ligand · 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 | 368 | 0.84 | 0.93 | 36 | B64 |
Compared structures
- 3HK1 · Identification and Characterization of a Small Molecule Inhibitor of Fatty Acid Binding… · the same entry in another collection · chain A against A, TM-score 1.00
- P04117 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein, adipocyte (P04117) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P04117
- Elsewhere: RCSB PDB 3HK1 · PDBe 3HK1 · UniProt P04117
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