9RV7

Streptococcus pneumoniae StkP catalytic domain T167A/T169A double mutant in complex with AMP-PNP and Mg2+

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 StkP	polymer	309	34570.4	2	UniProt (Q8DNS0)	Streptococcus pneumoniae R6	Ser/Thr-protein kinase StkP,Eukaryotic-type Ser/Thr protein kinase,ESTPK
2	C, F (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
3	D, G (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
4	E (A)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD) PubChem (5288834)
5	H (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
6	I, J (A, B)	water	water		18.0	379	Chemie (HOH)

Sequence modifications

A, B: 1 - 287 (UniProt: Q8DNS0)

PDB	External Database	Details
Met -21	-	initiating methionine
Gly -20	-	expression tag
Gly -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Gly -11	-	expression tag
Gly -10	-	expression tag
Gly -9	-	expression tag
Arg -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Ala 167	Thr 167	engineered mutation
Ala 169	Thr 169	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69140.8
Non-Polymers*	Number of molecules	6
	Total formula weight	1271.3
All*	Total formula weight	70412.1

*Water molecules are not included.