7G0E: Crystal Structure of human FABP5 in complex with 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1CCC2=C(C1)C(=C(S2)NC(=O)C1=C(C(=O)O)CCC1)C(=O)OCC with IC50=1.1 microM

PDB ID: 7G0EDownload
MMDB ID: 231424
PDB Deposition Date: 2023/4/27
Updated in MMDB: 2024/12
Experimental Method:
x-ray diffraction
Resolution: 1.11  Å
Source Organism:
Similar Structures:
Biological Unit for 7G0E: monomeric; determined by author and by software (PISA)
Molecular Components in 7G0E
Label Count Molecule
Protein (1 molecule)
1
Fatty Acid-binding Protein 5
(Gene symbol: FABP5)
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
1
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
2
2
2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
3
1
SULFATE IONSULFATE ION
4
1
CHLORIDE IONCHLORIDE ION
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303