5M07

Crystal structure of Mycobacterium tuberculosis PknI kinase domain, C20A mutant

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 PknI	polymer	276	29638.4	2	UniProt (P9WI69) Pfam (PF00069) In PDB	Mycobacterium tuberculosis H37Rv
2	A, B	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
3		water	water		18.0	154	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
Ala 20	Cys 20	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	59276.8
Non-Polymers*	Number of molecules	2
	Total formula weight	46.0
All*	Total formula weight	59322.8

*Water molecules are not included.