4XH5

Crystal structure of Salmonella typhimurium propionate kinase A88G mutant, 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	Propionate kinase	polymer	411	44835.9	1	UniProt (O06961) Pfam (PF00871) In PDB	Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
2	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
3	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	A	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
5	A	PROPANOIC ACID	non-polymer		74.1	1	Chemie (PPI)
6		water	water		18.0	105	Chemie (HOH)

Sequence modifications

A: 4 - 397 (UniProt: O06961)

PDB	External Database	Details
Met -13	-	expression tag
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
Asn 1	-	expression tag
Glu 2	-	expression tag
Phe 3	-	expression tag
Gly 88	Ala 88	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44835.9
Non-Polymers*	Number of molecules	4
	Total formula weight	768.4
All*	Total formula weight	45604.4

*Water molecules are not included.