2YP1

Crystallization of a 45 kDa peroxygenase- peroxidase from the mushroom Agrocybe aegerita and structure determination by SAD utilizing only the haem iron

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)	AROMATIC PEROXYGENASE	polymer	325	35692.7	4	UniProt (B9W4V6) Pfam (PF01328)	AGROCYBE AEGERITA	AAP
2	E (E)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	1	In PDB GlyTouCan (G56014GC)
3	F, J (F, J)	alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	2	In PDB GlyTouCan (G94626GC)
4	G, I, K, L, N... (G, I, K, L, N...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	9	In PDB GlyTouCan (G42666HT)
5	H, M (H, M)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1397.2	2	In PDB GlyTouCan (G80966KZ)
6	O, T (O, T)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	2	In PDB GlyTouCan (G15407YE)
7	BA, HA, QA, U (B, C, D, A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
8	CA, IA, RA, V (B, C, D, A)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
9	DA, KA, PA, VA, W (B, C, D, A)	ACETATE ION	non-polymer		59.0	5	Chemie (ACT)
10	AA, EA, FA, GA, LA... (A, B, C, D)	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
11	JA, SA, TA, UA (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
12	AB, BB, YA, ZA (C, D, A, B)	water	water		18.0	1185	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	142770.8
Branched	Number of molecules	16
	Total formula weight	10681.8
Non-Polymers*	Number of molecules	30
	Total formula weight	4992.0
All*	Total formula weight	158444.7

*Water molecules are not included.