8U2S

Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (Ethyl AMP bound, P21 form)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Acetyl-coenzyme A synthetase	polymer	713	79377.8	2	UniProt (A4I093) Pfam (PF16177) Pfam (PF00501) Pfam (PF13193)	Leishmania infantum	2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase
2	C, D, E, O, P... (A, B)	CACODYLATE ION	non-polymer		137.0	7	Chemie (CAC)
3	F, S, T (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
4	AA, G, H, I, J... (B, A)	CHLORIDE ION	non-polymer		35.5	14	Chemie (CL)
5	BA, N (B, A)	5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine	non-polymer		375.3	2	Chemie (WTA)
6	CA, DA (A, B)	water	water		18.0	17	Chemie (HOH)

Sequence modifications

A, B: 1 - 705 (UniProt: A4I093)

PDB	External Database	Details
Met -7	-	initiating methionine
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	158755.7
Non-Polymers*	Number of molecules	26
	Total formula weight	2482.1
All*	Total formula weight	161237.8

*Water molecules are not included.