9RG4

Unspecific peroxygenase from Psathyrella aberdarensis, Grogu variant, in complex with 5-formyl-2-furoic acid

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Heme-thiolate peroxidase	polymer	334	36575.5	2	UniProt (A0A4Q2DF39)	Candolleomyces aberdarensis
2	C, D (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	E, EA, HA, IA, K... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)
4	F, FA (A, B)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES) PubChem (4478249)
5	G, J, M (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG) PubChem (8117)
6	GA, H, I, JA, L... (B, A)	GLYCEROL	non-polymer		92.1	8	Chemie (GOL) PubChem (753)
7	N, SA (A, B)	ETHANOL	non-polymer		46.1	2	Chemie (EOH)
8	P, PA (A, B)	Mesoheme	non-polymer		620.5	2	Chemie (MH0)
9	Q, RA (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)
10	AA, R, S, T, TA... (A, B)	ZINC ION	non-polymer		65.4	15	Chemie (ZN)
11	BA, YA (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4) PubChem (1061)
12	CA, DA (B)	5-Formyl-2-furancarboxylic Acid	non-polymer		140.1	2	Chemie (A1JHS)
13	QA (B)	beta-D-mannopyranose	non-polymer		180.2	1	Chemie (BMA)
14	AB, ZA (B, A)	water	water		18.0	970	Chemie (HOH)

Sequence modifications

A, B: 1 - 334 (UniProt: A0A4Q2DF39)

PDB	External Database	Details
Ala 61	Ser 106	engineered mutation
Ile 79	Leu 124	engineered mutation
Leu 252	Ala 297	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73151.0
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	47
	Total formula weight	6228.5
All*	Total formula weight	80228.3

*Water molecules are not included.