9IFP

Unspecific peroxygenase from Psathyrella aberdarensis (PabUPO-II) in complex with 2,6-dimethoxyphenol

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 (A, B, C)	Heme-thiolate peroxidase	polymer	335	36630.4	3	UniProt (A0A4V1Q376) Pfam (PF01328)	Candolleomyces aberdarensis
2	D (D)	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		910.8	1	In PDB GlyTouCan (G22768VO)
3	E (E)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1235.1	1	In PDB GlyTouCan (G55220VL)
4	F, U, WA (A, B, C)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	3	Chemie (HEM)
5	CA, DA, FA, G, M (B, A)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	5	Chemie (EPE)
6	GA, H, I, J, JA... (B, A, C)	GLYCEROL	non-polymer		92.1	11	Chemie (GOL)
7	EA, LA, O, P, Q... (B, A, C)	2,6-dimethoxyphenol	non-polymer		154.2	6	Chemie (3DM)
8	MA, R, S, ZA (B, A, C)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
9	AB, NA, T (C, B, A)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
10	HA, OA, PA, QA, RA... (B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)
11	IA, SA, TA, Y (B, C)	beta-D-mannopyranose	non-polymer		180.2	4	Chemie (BMA)
12	AA, BA, UA, Z (B, C)	alpha-D-mannopyranose	non-polymer		180.2	4	Chemie (MAN)
13	BB, CB, DB (A, B, C)	water	water		18.0	705	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	109891.3
Branched	Number of molecules	2
	Total formula weight	2145.9
Non-Polymers*	Number of molecules	48
	Total formula weight	8647.1
All*	Total formula weight	120684.3

*Water molecules are not included.