9PU9

Crystal structure of thermostable variant of phosphite dehydrogenase from Pseudomonas stutzeri

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)	Phosphonate dehydrogenase	polymer	339	36971.4	2	UniProt (O69054)	Stutzerimonas stutzeri ATCC 14405 = CCUG 16156	NAD-dependent phosphite dehydrogenase
2	C, E (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL) PubChem (312)
3	D (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	F (B)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4) PubChem (8200)
5	G (B)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
6	H, I (A, B)	water	water		18.0	867	Chemie (HOH)

Sequence modifications

A, B: 1 - 336 (UniProt: O69054)

PDB	External Database	Details
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag
Glu 13	Asp 13	engineered mutation
Ile 26	Met 26	engineered mutation
Ile 71	Val 71	engineered mutation
Glu 98	Asp 98	engineered mutation
Lys 130	Glu 130	engineered mutation
Arg 132	Gln 132	engineered mutation
Arg 137	Gln 137	engineered mutation
Phe 150	Ile 150	engineered mutation
Gln 154	Gly 154	engineered mutation
Ser 155	Ala 155	engineered mutation
Ala 175	Glu 175	engineered mutation
Phe 176	Ala 176	engineered mutation
Glu 177	Lys 177	engineered mutation
Leu 215	Gln 215	engineered mutation
Gln 275	Arg 275	engineered mutation
Gln 276	Leu 276	engineered mutation
Leu 313	Ile 313	engineered mutation
Ala 315	Val 315	engineered mutation
Glu 319	Ala 319	engineered mutation
Val 325	Ala 325	engineered mutation
Asn 332	Glu 332	engineered mutation
Asp 336	Cys 336	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73942.8
Non-Polymers*	Number of molecules	5
	Total formula weight	477.4
All*	Total formula weight	74420.2

*Water molecules are not included.