4NNS

Crystal structure of FABP4 in complex with novel inhibitor

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	152	16911.3	1	UniProt (P15090) Pfam (PF00061)	Homo sapiens (human)	Hepatocyte growth factor receptor, Adipocyte lipid-binding protein, ALBP, Adipocyte-type fatty acid-binding protein, A-FABP, AFABP, Fatty acid-binding protein 4
2	B (A)	2,4,6-tri(propan-2-yl)benzenesulfonic acid	non-polymer		284.4	1	Chemie (75D)
3	C (A)	water	water		18.0	119	Chemie (HOH)

Sequence modifications

A: 0 - 131 (UniProt: P15090)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
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	16911.3
Non-Polymers*	Number of molecules	1
	Total formula weight	284.4
All*	Total formula weight	17195.7

*Water molecules are not included.