6I2P

Crystal structure of the Mycobacterium tuberculosis PknB kinase domain (L33E mutant) in complex with its substrate GarA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Serine/threonine-protein kinase PknB	polymer	280	30520.1	2	UniProt (P9WI81) Pfam (PF00069) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
2	D, E	Glycogen accumulation regulator GarA	polymer	163	17322.9	2	UniProt (P9WJA9) Pfam (PF00498) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
3	C	UNK-UNK-UNK-UNK-UNK	polymer	5	443.5	1		Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
4	A, B	PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER	non-polymer		505.2	2	Chemie (ACP)
5	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	A, D	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
7		water	water		18.0	228	Chemie (HOH)

Sequence modifications

A, B: 1 - 279 (UniProt: P9WI81)

PDB	External Database	Details
Gly 0	-	expression tag
Glu 33	Leu 33	engineered mutation

D, E: 1 - 162 (UniProt: P9WJA9)

PDB	External Database	Details
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	96129.5
Non-Polymers*	Number of molecules	7
	Total formula weight	1347.2
All*	Total formula weight	97476.7

*Water molecules are not included.