1W2N

Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and ampicillin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	DEACETOXYCEPHALOSPORIN C SYNTHASE	polymer	331	36763.0	1	UniProt (P18548) Pfam (PF03171)	STREPTOMYCES CLAVULIGERUS	DAOCS, EXPANDASE
2	B (A)	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
3	C (A)	(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID	non-polymer		349.4	1	Chemie (PN1)
4	D (A)	water	water		18.0	29	Chemie (HOH)

Sequence modifications

A: 1 - 311 (UniProt: P18548)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36763.0
Non-Polymers*	Number of molecules	2
	Total formula weight	405.3
All*	Total formula weight	37168.2

*Water molecules are not included.