3A16

Crystal Structure of Aldoxime Dehydratase (OxdRE) in Complex with Propionaldoxime

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)	Aldoxime dehydratase	polymer	373	42082.6	4	UniProt (Q76K71) Pfam (PF13816)	Rhodococcus erythropolis	OxdRE
2	E, G, J, L (A, B, C, D)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, H, K, M (A, B, C, D)	(1Z)-propanal oxime	non-polymer		73.1	4	Chemie (PXO)
4	I, N (B, D)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	O, P, Q, R (A, B, C, D)	water	water		18.0	831	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 353 (UniProt: Q76K71)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	168330.5
Non-Polymers*	Number of molecules	10
	Total formula weight	2806.9
All*	Total formula weight	171137.4

*Water molecules are not included.