5W7S

Crystal structure of OxaC in complex with sinefungin and meleagrin

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)	Penicillium oxalicum
2	B (A)	(3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-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		433.5	1	Chemie (9Z1)
3	C (A)	SINEFUNGIN	non-polymer		381.4	1	Chemie (SFG) PubChem (176612030) PubChem (177116271) PubChem (25246236) PubChem (46875078) PubChem (46936257) PubChem (70602121) PubChem (456189) PubChem (4065234) PubChem (65482) PubChem (70789212) PubChem (93287274) PubChem (92403972) PubChem (93287270) PubChem (93287272) PubChem (93475589) PubChem (6917665) PubChem (12771338) PubChem (12771337) PubChem (131971033) PubChem (131972810) PubChem (138626357) PubChem (156562738) PubChem (162866891) PubChem (163339130) PubChem (168280605)
4	D (A)	water	water		18.0	7	Chemie (HOH)

Sequence modifications

A: 1 - 405 (UniProt: A0A1B2TT09)

PDB	External Database	Details
Met -23	-	initiating methionine
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	814.8
All*	Total formula weight	48099.6

*Water molecules are not included.