6NO5

ADP bound to K46bE&K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase

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 (A, B, C, D)	Succinate--CoA ligase [ADP-forming] subunit beta	polymer	250	27596.9	4	UniProt (B3FHP0) Pfam (PF08442)	Blastocystis sp. subtype 1 (strain ATCC 50177 / NandII)	Succinyl-CoA synthetase beta chain,SCS-beta
2	E, G, K, N (A, B, C, D)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	4	Chemie (ADP)
3	F, H, L, O (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	I, J, M, P (B, C, D)	AMMONIUM ION	non-polymer		18.0	4	Chemie (NH4)
5	Q, R, S, T (A, B, C, D)	water	water		18.0	405	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 239 (UniProt: B3FHP0)

PDB	External Database	Details
Met 1	-	initiating methionine
Glu 46	Lys 60	engineered mutation
Asp 114	Lys 128	engineered mutation
Gly 240	-	expression tag
Leu 241	-	expression tag
Glu 242	-	expression tag
His 243	-	expression tag
His 244	-	expression tag
His 245	-	expression tag
His 246	-	expression tag
His 247	-	expression tag
His 248	-	expression tag
His 249	-	expression tag
His 250	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	110387.6
Non-Polymers*	Number of molecules	12
	Total formula weight	1878.2
All*	Total formula weight	112265.8

*Water molecules are not included.