5U29

Crystal structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with Ac-AMS

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	694	77475.8	3	UniProt (J9VFT1) Pfam (PF16177) Pfam (PF00501) Pfam (PF13193)	Cryptococcus neoformans var. grubii serotype A (strain H99 / ATCC 208821 / CBS 10515 / FGSC 9487)
2	D, G, L (A, B, C)	5'-O-(acetylsulfamoyl)adenosine	non-polymer		388.4	3	Chemie (7RM)
3	E, M, N (A, C)	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
4	F, H, I, J, K... (A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
5	Q, R, S (A, B, C)	water	water		18.0	399	Chemie (HOH)

Sequence modifications

A, B, C: 2 - 680 (UniProt: J9VFT1)

PDB	External Database	Details
Met -13	-	initiating methionine
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
His -5	-	expression tag
Glu -4	-	expression tag
Asn -3	-	expression tag
Leu -2	-	expression tag
Tyr -1	-	expression tag
Phe 0	-	expression tag
Gln 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	232427.3
Non-Polymers*	Number of molecules	13
	Total formula weight	1884.5
All*	Total formula weight	234311.7

*Water molecules are not included.