7FXE

Crystal Structure of human FABP4 in complex with 2-(9-benzyl-6-methyl-1,2,3,4-tetrahydrocarbazol-1-yl)acetic acid, i.e. SMILES C12=C(c3c(N1Cc1ccccc1)ccc(c3)C)CCC[C@H]2CC(=O)O with IC50=3.60776 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)	[(1S)-9-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid	non-polymer		333.4	1	Chemie (R9C)
3	C, D (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	E (A)	water	water		18.0	199	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	3
	Total formula weight	525.5
All*	Total formula weight	15547.7

*Water molecules are not included.