9TI2

Crystal structure of the zinc-containing Phosphotriesterase dPTE2-H55(pi)MH

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Parathion hydrolase	polymer	342	37249.9	6	UniProt (P0A434)	Brevundimonas diminuta	Phosphotriesterase,PTE
2	AA, BA, CA, DA, G... (E, F, A, B, C...)	ZINC ION	non-polymer		65.4	12	Chemie (ZN)
3	I, J, K, L, M... (B, C, D)	1,2-ETHANEDIOL	non-polymer		62.1	12	Chemie (EDO)
4	EA, FA, GA, HA, IA... (A, B, C, D, E...)	water	water		18.0	701	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 11 - 342 (UniProt: P0A434)

PDB	External Database	Details
Ser 1	-	expression tag
Asn 2	-	expression tag
Ile 3	-	expression tag
Gly 4	-	expression tag
Ser 5	-	expression tag
Gly 6	-	expression tag
Ile 7	-	expression tag
Thr 8	-	expression tag
Asn 9	-	expression tag
Ser 10	-	expression tag
Met 31	Thr 54	engineered mutation
Asp 54	Lys 77	engineered mutation
Glu 88	Ser 111	engineered mutation
Glu 95	Arg 118	engineered mutation
Arg 159	Leu 182	engineered mutation
Arg 162	Lys 185	engineered mutation
Asp 180	Ala 203	engineered mutation
Asp 191	Ala 214	engineered mutation
Asp 199	Ser 222	engineered mutation
Asp 215	Ser 238	engineered mutation
Ala 246	Ser 269	engineered mutation
Leu 251	Ile 274	engineered mutation
Ala 270	Met 293	engineered mutation
Asp 271	Lys 294	engineered mutation
Asp 320	Gln 343	engineered mutation
Glu 324	Ala 347	engineered mutation
Thr 325	Gly 348	engineered mutation
Met 327	Thr 350	engineered mutation
Asp 329	Thr 352	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	223499.6
Non-Polymers*	Number of molecules	24
	Total formula weight	1529.7
All*	Total formula weight	225029.4

*Water molecules are not included.