5M06

Crystal structure of Mycobacterium tuberculosis PknI kinase domain

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)	Serine/threonine-protein kinase PknI	polymer	276	29670.5	2	UniProt (P9WI69) Pfam (PF00069)	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
2	C (B)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
3	D (B)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	E, F (A, B)	water	water		18.0	127	Chemie (HOH)

Sequence modifications

A, B: 1 - 256 (UniProt: P9WI69)

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	59341.0
Non-Polymers*	Number of molecules	2
	Total formula weight	467.3
All*	Total formula weight	59808.2

*Water molecules are not included.