5HM3

2.25 Angstrom Resolution Crystal Structure of Long-chain-fatty-acid-AMP Ligase FadD32 from Mycobacterium tuberculosis 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	Long-chain-fatty-acid--AMP ligase FadD32	polymer	657	71887.5	1	UniProt (O53580) Pfam (PF00501) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	FAAL,Acyl-AMP synthetase
2	A	5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine	non-polymer		606.7	1	Chemie (649)
3	A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	A	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
5	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
7		water	water		18.0	131	Chemie (HOH)

Sequence modifications

A: 2 - 637 (UniProt: O53580)

PDB	External Database	Details
Mse -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
Mse 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	71887.5
Non-Polymers*	Number of molecules	9
	Total formula weight	1252.8
All*	Total formula weight	73140.4

*Water molecules are not included.