1H1I

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

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)	QUERCETIN 2,3-DIOXYGENASE	polymer	350	37958.2	4	UniProt (Q7SIC2)	ASPERGILLUS JAPONICUS
2	E, F, G (E, F, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
3	CA, DA, EA, H, I... (D, A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	14	Chemie (NAG)
4	AA, FA, L, S (C, D, A, B)	COPPER (II) ION	non-polymer		63.5	4	Chemie (CU)
5	BA, GA, M, T (C, D, A, B)	3,5,7,3',4'-PENTAHYDROXYFLAVONE	non-polymer		302.2	4	Chemie (QUE)
6	N, U, V, W (A, B, C)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	4	Chemie (MPD)
7	HA, IA, JA, KA (A, B, C, D)	water	water		18.0	1539	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	151832.8
Branched	Number of molecules	3
	Total formula weight	1273.2
Non-Polymers*	Number of molecules	26
	Total formula weight	5032.7
All*	Total formula weight	158138.7

*Water molecules are not included.