MolNFT v1 · #64018 · protein
N-benzyl-indolo carboxylic acids: design and synthesis of potent and selective adipocyte fatty-acid binding protein (a-fabp) inhibitors
3FR4 · Fatty acid-binding protein, adipocyte: “N-benzyl-indolo carboxylic acids: design and synthesis of potent and selective adipocyte fatty-acid binding…”. X-ray diffraction, 1 ligand (F8A), 1 pocket (best druggability 0.85). MolNFT v1…
- PDB
- 3FR4
- 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
- P15090
- Ligands
- F8A
- Pockets
- 1 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty acid-binding protein, adipocyte | protein | 131 | 13% helix, 59% strand | P15090 |
Ligands and binding sites
- F8A · 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic 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 | 325 | 0.85 | 0.94 | 35 | F8A |
Compared structures
- 3FR4 · N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte… · the same entry in another collection · chain A against A, TM-score 1.00
- P15090 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein, adipocyte (P15090) · 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 P15090
- Elsewhere: RCSB PDB 3FR4 · PDBe 3FR4 · UniProt P15090
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