8ORO

CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) S101A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER HYPEROXYC CONDITIONS

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 (AAA, BBB)	1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase	polymer	288	33273.4	2	UniProt (O31266) Pfam (PF00561)	Paenarthrobacter nitroguajacolicus
2	C, G (AAA, BBB)	2-methyl-quinolin-4(1H)-one	non-polymer		159.2	2	Chemie (VFH)
3	D, H (AAA, BBB)	OXYGEN MOLECULE	non-polymer		32.0	2	Chemie (OXY)
4	E, F, I, J (AAA, BBB)	D(-)-TARTARIC ACID	non-polymer		150.1	4	Chemie (TAR)
5	K (BBB)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	L (BBB)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
7	M, N (AAA, BBB)	water	water		18.0	410	Chemie (HOH)

Sequence modifications

AAA, BBB: 1 - 276 (UniProt: O31266)

PDB	External Database	Details
Met -11	-	initiating methionine
Arg -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ser 69	Cys 69	engineered mutation
Ala 101	Ser 101	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66546.8
Non-Polymers*	Number of molecules	10
	Total formula weight	1097.8
All*	Total formula weight	67644.6

*Water molecules are not included.