8I3P

crystal structure of yeast cytosine deaminase mutant yCD-RQ-1/8SAH in complex with (R)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Cytosine deaminase	polymer	198	22764.9	2	UniProt (Q12178) Pfam (PF00383)	Saccharomyces cerevisiae S288C	yCD,Cytosine aminohydrolase,Fluorocytosine resistance protein 1
2	C, F (A, B)	4-oxidanyl-3,4-dihydro-1H-pyrimidin-2-one	non-polymer		114.1	2	Chemie (OS0)
3	D, G (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	E, H (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	I, J (A, B)	water	water		18.0	349	Chemie (HOH)

Sequence modifications

A, B: 1 - 158 (UniProt: Q12178)

PDB	External Database	Details
Gly 0	-	expression tag
Arg 159	-	expression tag
Ile 160	-	expression tag
Glu 161	-	expression tag
Leu 162	-	expression tag
Gln 163	-	expression tag
Lys 164	-	expression tag
Gln 165	-	expression tag
Gln 166	-	expression tag
Glu 167	-	expression tag
Glu 168	-	expression tag
Glu 169	-	expression tag
Ala 170	-	expression tag
Glu 171	-	expression tag
Arg 172	-	expression tag
Leu 173	-	expression tag
Arg 174	-	expression tag
Arg 175	-	expression tag
Ile 176	-	expression tag
Gln 177	-	expression tag
Glu 178	-	expression tag
Glu 179	-	expression tag
Met 180	-	expression tag
Glu 181	-	expression tag
Lys 182	-	expression tag
Glu 183	-	expression tag
Arg 184	-	expression tag
Lys 185	-	expression tag
Arg 186	-	expression tag
Arg 187	-	expression tag
Glu 188	-	expression tag
Glu 189	-	expression tag
Asp 190	-	expression tag
Glu 191	-	expression tag
Gln 192	-	expression tag
Arg 193	-	expression tag
Arg 194	-	expression tag
Arg 195	-	expression tag
Lys 196	-	expression tag
Glu 197	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	45529.7
Non-Polymers*	Number of molecules	6
	Total formula weight	483.2
All*	Total formula weight	46012.9

*Water molecules are not included.