3A18

Crystal Structure of Aldoxime Dehydratase (OxdRE) in Complex with Butyraldoxime (soaked crystal)

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	Aldoxime dehydratase	polymer	373	42082.6	4	UniProt (Q76K71) Pfam (PF13816) In PDB	Rhodococcus erythropolis	OxdRE
2	A, B, C, D	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	A, B, C, D	(1Z)-butanal oxime	non-polymer		87.1	4	Chemie (BXO)
4		water	water		18.0	868	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	8
	Total formula weight	2814.4
All*	Total formula weight	171144.9

*Water molecules are not included.