MolNFT v1 · #155828 · protein
Crystal structure of human FABP4 in complex with a novel inhibitor
6LJS · Fatty acid-binding protein, adipocyte: “Crystal structure of human FABP4 in complex with a novel inhibitor”. X-ray diffraction, 1 ligand (EHR), 1 pocket (best druggability 0.85). MolNFT v1 #155828 on GenesisL1: 3D structure, binding…
- PDB
- 6LJS
- Type
- protein
- Length
- 136 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid-binding protein, adipocyte
- UniProt
- P15090
- Ligands
- EHR
- Pockets
- 1 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty acid-binding protein, adipocyte | protein | 136 | 16% helix, 57% strand | P15090 |
Ligands and binding sites
- EHR · 2-[(2-phenylphenyl)amino]benzoic acid · ligand · chains A
- EDO · 1,2-ethanediol · 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 | 309 | 0.85 | 0.95 | 34 | EHR, EDO |
Compared structures
- 6LJS · Crystal structure of human FABP4 in complex with a novel inhibitor · 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 0.96
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 P15090
- Elsewhere: RCSB PDB 6LJS · PDBe 6LJS · UniProt P15090
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