5W7R

Crystal structure of OxaC in complex with SAH and oxaline

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	OxaC	polymer	429	47284.7	1	UniProt (A0A1B2TT09) Pfam (PF00891)	Penicillium oxalicum
2	B (A)	(3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1 ',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione	non-polymer		447.5	1	Chemie (9Z7)
3	C (A)	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	1	Chemie (SAH)
4	D (A)	water	water		18.0	10	Chemie (HOH)

Sequence modifications

A: 1 - 405 (UniProt: A0A1B2TT09)

PDB	External Database	Details
Met -23	-	expression tag
Gly -22	-	expression tag
Ser -21	-	expression tag
Ser -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Gly -11	-	expression tag
Ala -10	-	expression tag
Ser -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Gly -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	47284.7
Non-Polymers*	Number of molecules	2
	Total formula weight	831.9
All*	Total formula weight	48116.6

*Water molecules are not included.