6NO2

ADP bound to 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	Succinate--CoA ligase [ADP-forming] subunit beta	polymer	250	27597.0	2	UniProt (B3FHP0) Pfam (PF08442) In PDB	Blastocystis sp. subtype 1 (strain ATCC 50177 / NandII)	Succinyl-CoA synthetase beta chain,SCS-beta
2	A, B	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
3	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5		water	water		18.0	97	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 1	-	initiating methionine
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	2
	Total formula weight	55193.9
Non-Polymers*	Number of molecules	5
	Total formula weight	938.5
All*	Total formula weight	56132.4

*Water molecules are not included.