4MQQ

Mycobaterium tuberculosis transaminase BioA complexed with benzo[d]thiazole-2-carbohydrazide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase	polymer	457	48536.5	2	UniProt (P0A4X6) Pfam (PF00202) UniProt (by SIFTS) (P9WQ81)	Mycobacterium tuberculosis	7,8-diamino-pelargonic acid aminotransferase, DAPA AT, DAPA aminotransferase, 7,8-diaminononanoate synthase, DANS, Diaminopelargonic acid synthase
2	C, D, F, J (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
3	E (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	G, I (A, B)	(4-{[(E)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate	non-polymer		422.4	2	Chemie (2B6)
5	H (A)	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
6	K, L (A, B)	water	water		18.0	743	Chemie (HOH)

Sequence modifications

A, B: 1 - 437 (UniProt: P0A4X6)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	97073.0
Non-Polymers*	Number of molecules	8
	Total formula weight	1197.5
All*	Total formula weight	98270.6

*Water molecules are not included.