7G1J

Crystal Structure of human FABP4 in complex with 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid, i.e. SMILES C1(=C(CCCC1)C(=O)NC1=C(C(=C(C)S1)C)C1=NC(=NO1)C1CC1)C(=O)O with IC50=0.0236791 microM

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Fatty acid-binding protein, adipocyte	polymer	135	15022.2	1	UniProt (P15090) Pfam (PF00061)	Homo sapiens (human)	Adipocyte lipid-binding protein,ALBP,Adipocyte-type fatty acid-binding protein,A-FABP,AFABP,Fatty acid-binding protein 4
2	B (A)	2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid	non-polymer		387.5	1	Chemie (WKW)
3	C (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4	D (A)	water	water		18.0	217	Chemie (HOH)

Sequence modifications

A: 0 - 131 (UniProt: P15090)

PDB	External Database	Details
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	15022.2
Non-Polymers*	Number of molecules	2
	Total formula weight	483.5
All*	Total formula weight	15505.7

*Water molecules are not included.