4XH1

Crystal structure of Salmonella typhimurium propionate kinase in complex with AMPPNP and propionate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Propionate kinase	polymer	416	45377.6	1	UniProt (O06961) Pfam (PF00871)	Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
2	B, C (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	D (A)	PROPANOIC ACID	non-polymer		74.1	1	Chemie (PPI)
4	E (A)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
5	F (A)	water	water		18.0	112	Chemie (HOH)

Sequence modifications

A: 2 - 397 (UniProt: O06961)

PDB	External Database	Details
Met -13	-	initiating methionine
Arg -12	-	expression tag
Gly -11	-	expression tag
Ser -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Gly -3	-	expression tag
Met -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag
Met 1	-	expression tag
Pro 398	-	expression tag
Val 399	-	expression tag
Glu 400	-	expression tag
Phe 401	-	expression tag
Ala 402	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45377.6
Non-Polymers*	Number of molecules	4
	Total formula weight	764.5
All*	Total formula weight	46142.1

*Water molecules are not included.