7FZV

Crystal Structure of human FABP4 in complex with 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one, i.e. SMILES C1(=C(C=CN(C1=O)Cc1c(cc(cc1)Cl)Cl)O)C/C=C/c1ccccc1 with IC50=0.557 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	6	Chemie (SO4)
3	E, J (A, B)	1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]pyridin-2(1H)-one	non-polymer		386.3	2	Chemie (O1L)
4	K (A)	water	water		18.0	6	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	8
	Total formula weight	1348.9
All*	Total formula weight	31393.3

*Water molecules are not included.