1H1M

CRYSTAL STRUCTURE OF QUERCETIN 2,3-DIOXYGENASE ANAEROBICALLY COMPLEXED WITH THE SUBSTRATE KAEMPFEROL

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	QUERCETIN 2,3-DIOXYGENASE	polymer	350	37958.2	4	UniProt (Q7SIC2) In PDB	ASPERGILLUS JAPONICUS
2	E	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 (G10756ZZ)
3	F, G	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		748.7	2	In PDB GlyTouCan (G22573RC)
4	H	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
5	D, A, B, C	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	13	Chemie (NAG)
6	D, A, B, C	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE	non-polymer		286.2	4	Chemie (KMP)
7	C, D, A, B	COPPER (II) ION	non-polymer		63.5	4	Chemie (CU)
8	C, A, B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	4	Chemie (MPD)
9		water	water		18.0	1547	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	151832.8
Branched	Number of molecules	4
	Total formula weight	2832.6
Non-Polymers*	Number of molecules	25
	Total formula weight	4747.5
All*	Total formula weight	159412.9

*Water molecules are not included.