7L3Q

Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-methylphosphate and Co-enzyme A from Coccidioides immitis RS

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 (A, B, C)	Acetyl-coenzyme A synthetase	polymer	706	78435.8	3	UniProt (J3KJC6) Pfam (PF16177) Pfam (PF00501) Pfam (PF13193)	Coccidioides immitis (strain RS) (Valley fever fungus)
2	D, E, F, G, H... (A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	16	Chemie (EDO)
3	I, Q, X (A, B, C)	COENZYME A	non-polymer		767.5	3	Chemie (COA)
4	J, R, Y (A, B, C)	5'-O-[(R)-hydroxy(methoxy)phosphoryl]adenosine	non-polymer		361.2	3	Chemie (XM7)
5	AA, BA, Z (B, C, A)	water	water		18.0	540	Chemie (HOH)

Sequence modifications

A, B, C: 2 - 691 (UniProt: J3KJC6)

PDB	External Database	Details
Met -14	-	initiating methionine
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Glu -5	-	expression tag
Asn -4	-	expression tag
Leu -3	-	expression tag
Tyr -2	-	expression tag
Phe -1	-	expression tag
Gln 0	-	expression tag
Gly 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	235307.5
Non-Polymers*	Number of molecules	22
	Total formula weight	4379.4
All*	Total formula weight	239686.9

*Water molecules are not included.