7FYJ

Crystal Structure of human FABP4 in complex with 5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, i.e. SMILES c1(cccc(c1C)Cl)OCC1=CC(=O)N2N=C(c3ccccc3)N=C2N1 with IC50=0.061 microM

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Fatty acid-binding protein, adipocyte	polymer	135	15022.2	2	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	C, D, F, G, H (A, B)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
3	E, I (A, B)	(8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one	non-polymer		366.8	2	Chemie (W7Z)
4	J (A)	water	water		18.0	3	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	30044.4
Non-Polymers*	Number of molecules	7
	Total formula weight	1213.9
All*	Total formula weight	31258.3

*Water molecules are not included.