2W8S

CRYSTAL STRUCTURE OF A catalytically promiscuous PHOSPHONATE MONOESTER HYDROLASE FROM Burkholderia caryophylli

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 (A, B, C, D)	PHOSPHONATE MONOESTER HYDROLASE	polymer	543	61220.3	4	UniProt (Q45087) Pfam (PF00884)	BURKHOLDERIA CARYOPHYLLI
2	E, H, K, P (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	F, I, L, Q (A, B, C, D)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
4	G, J, M, N, O... (A, B, C, D)	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
5	T, U, V, W (D)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
6	AA, X, Y, Z (D, A, B, C)	water	water		18.0	818	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 514 (UniProt: Q45087)

PDB	External Database	Details
Met -28	-	expression tag
Ala -27	-	expression tag
Ser -26	-	expression tag
Trp -25	-	expression tag
Ser -24	-	expression tag
His -23	-	expression tag
Pro -22	-	expression tag
Gln -21	-	expression tag
Phe -20	-	expression tag
Glu -19	-	expression tag
Lys -18	-	expression tag
Gly -17	-	expression tag
Ala -16	-	expression tag
Glu -15	-	expression tag
Thr -14	-	expression tag
Ala -13	-	expression tag
Val -12	-	expression tag
Pro -11	-	expression tag
Asn -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Gly -4	-	expression tag
Asp -3	-	expression tag
Pro -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Fgl 57	Cys 57	microheterogeneity

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	244881.2
Non-Polymers*	Number of molecules	19
	Total formula weight	1525.8
All*	Total formula weight	246407.0

*Water molecules are not included.