8OXN

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 NORMOXYC 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, C, D (AAA, BBB, CCC, DDD)	1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase	polymer	288	33273.4	4	UniProt (O31266)	Paenarthrobacter nitroguajacolicus
2	E, F, H, K (AAA, BBB, CCC, DDD)	2-methyl-quinolin-4(1H)-one	non-polymer		159.2	4	Chemie (VFH)
3	G, J, L (BBB, CCC, DDD)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
4	I (CCC)	S,R MESO-TARTARIC ACID	non-polymer		150.1	1	Chemie (SRT)
5	M, N, O, P (AAA, BBB, CCC, DDD)	water	water		18.0	158	Chemie (HOH)

Sequence modifications

AAA, BBB, CCC, DDD: 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	4
	Total formula weight	133093.6
Non-Polymers*	Number of molecules	8
	Total formula weight	1063.1
All*	Total formula weight	134156.7

*Water molecules are not included.