5ICR

2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Acyl-CoA synthase	polymer	650	70477.9	4	UniProt (A0R618) Pfam (PF00501) In PDB	Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155)	Fatty-acid-CoA ligase FadD32
2	A, B, C, D	5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine	non-polymer		606.7	4	Chemie (649)
3	A, B, C, D	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
4	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	C	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6		water	water		18.0	1125	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 630 (UniProt: A0R618)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	281911.4
Non-Polymers*	Number of molecules	11
	Total formula weight	3034.6
All*	Total formula weight	284946.0

*Water molecules are not included.