4CFS

CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4- OXOQUINALDINE

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)	1-H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE	polymer	287	33107.2	4	UniProt (O31266) Pfam (PF00561)	ARTHROBACTER NITROGUAJACOLICUS
2	E, H, J, O (A, B, C, D)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
3	F, I, K, P (A, B, C, D)	3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE	non-polymer		175.2	4	Chemie (HQD)
4	G, L, M, N, Q... (A, C, D)	D(-)-TARTARIC ACID	non-polymer		150.1	7	Chemie (TAR)
5	T, U, V, W (A, B, C, D)	water	water		18.0	638	Chemie (HOH)

Sequence modifications

A, B, C, D: 3 - 275 (UniProt: O31266)

PDB	External Database	Details
Met -10	-	expression tag
Arg -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Met 2	-	expression tag
Asn 276	-	expression tag
Ser 69	Cys 69	engineered mutation
Ala 251	His 251	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	132428.8
Non-Polymers*	Number of molecules	15
	Total formula weight	1907.7
All*	Total formula weight	134336.5

*Water molecules are not included.