3URB

Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Parathion hydrolase	polymer	327	35462.3	2	UniProt (P0A434) Pfam (PF02126) In PDB	Brevundimonas diminuta	Phosphotriesterase, PTE
2	A	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
3	A, B	DIETHYL HYDROGEN PHOSPHATE	non-polymer		154.1	2	Chemie (DPF)
4	A, B	COBALT (II) ION	non-polymer		58.9	4	Chemie (CO)
5		water	water		18.0	559	Chemie (HOH)

Sequence modifications

A, B: 35 - 361 (UniProt: P0A434)

PDB	External Database	Details
His 67	Arg 67	engineered mutation
Val 80	Ala 80	engineered mutation
Cys 106	Ile 106	engineered mutation
Ile 132	Phe 132	engineered mutation
Arg 185	Lys 185	engineered mutation
Gly 254	His 254	engineered mutation
Trp 257	His 257	engineered mutation
Ile 271	Leu 271	engineered mutation
Asn 274	Ile 274	engineered mutation
Thr 303	Leu 303	engineered mutation
Leu 317	Met 317	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70924.5
Non-Polymers*	Number of molecules	7
	Total formula weight	613.0
All*	Total formula weight	71537.5

*Water molecules are not included.