6P02

Crystal structure of Mtb aspartate decarboxylase, 6-Chlorine pyrazinoic acid complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G, I... (A, C, E, G, I...)	Aspartate 1-decarboxylase beta chain	polymer	24	2751.3	12	UniProt (P9WIL3)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
2	B, D, F, H, J... (B, D, F, H, J...)	Aspartate 1-decarboxylase alpha chain	polymer	123	13221.8	12	UniProt (P9WIL3) Pfam (PF02261)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
3	AA, BA, CA, DA, EA... (F, H, J, L, N...)	6-chloropyrazine-2-carboxylic acid	non-polymer		158.5	12	Chemie (NMJ)
4	KA, LA, MA, NA, OA (B, D, N, O, R)	water	water		18.0	7	Chemie (HOH)

Sequence modifications

B, D, F, H, J, L, N, P, R, T, V, X: 25 - 139 (UniProt: P9WIL3)

PDB	External Database	Details
Pyr 25	Ser 25	conflict
Leu 140	-	expression tag
Glu 141	-	expression tag
His 142	-	expression tag
His 143	-	expression tag
His 144	-	expression tag
His 145	-	expression tag
His 146	-	expression tag
His 147	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	24
	Total formula weight	191677.4
Non-Polymers*	Number of molecules	12
	Total formula weight	1902.5
All*	Total formula weight	193579.9

*Water molecules are not included.