7G0O

Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid

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	15012.2	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, C (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
3	D (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)
4	E (A)	water	water		18.0	134	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
Leu 23	Val 24	engineered mutation
Met 32	Val 33	engineered mutation
Gly 33	Ala 34	engineered mutation
Cys 40	Met 41	engineered mutation
Thr 53	Ser 54	engineered mutation
Leu 57	Phe 58	engineered mutation
Gln 93	His 94	engineered mutation
Cys 124	Ser 125	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	15012.2
Non-Polymers*	Number of molecules	3
	Total formula weight	543.7
All*	Total formula weight	15556.0

*Water molecules are not included.