MolNFT v2 · #181310 · protein
Crystal Structure of human FABP4 in complex with 2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, i.e. SMILES c1(c(c(c2c(n1)CCCCC2)c1ccccc1)C1=NN=NN1)[C@@H]1CCCO1 with IC50=0.0357232 microM
7FXN: “Crystal Structure of human FABP4 in complex with 2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-te…”. X-ray diffraction at 1.02, 2 ligands (SUX, SO4). MolNFT v2 #181310 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7FXN
- Type
- protein
- Length
- 134 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.02
- Source
- Homo sapiens
- UniProt
- P15090
- Ligands
- SUX, SO4
Structure
x-ray diffraction · resolution 1.02 · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 134 | — | P15090 |
Ligands and binding sites
- SUX · (3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- FMT · Formic acid · additive · 3 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 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 0.97
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 7FXN · PDBe 7FXN · UniProt P15090
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