6I2S

Crystal structure of the SucA domain of Mycobacterium smegmatis KGD (R802A) in complex with GarA, following 2-oxoglutarate soak

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Multifunctional 2-oxoglutarate metabolism enzyme	polymer	868	97080.5	1	UniProt (A0R2B1) Pfam (PF00676) Pfam (PF02779) Pfam (PF16870) In PDB	Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155)	2-hydroxy-3-oxoadipate synthase,HOAS,2-oxoglutarate carboxy-lyase,2-oxoglutarate decarboxylase,Alpha-ketoglutarate decarboxylase,KGD,Alpha-ketoglutarate-glyoxylate carboligase
2	B	Glycogen accumulation regulator GarA	polymer	115	12112.3	1	UniProt (A0QYG2) Pfam (PF00498) In PDB	Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5	A	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
6	A	(4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid	non-polymer		527.4	1	Chemie (TD6)
7		water	water		18.0	159	Chemie (HOH)

Sequence modifications

A: 361 - 1227 (UniProt: A0R2B1)

PDB	External Database	Details
Gly 360	-	expression tag
Ala 802	Arg 802	engineered mutation

B: 45 - 158 (UniProt: A0QYG2)

PDB	External Database	Details
Gly 44	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	109192.8
Non-Polymers*	Number of molecules	4
	Total formula weight	686.8
All*	Total formula weight	109879.6

*Water molecules are not included.