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Receptor Information

>1vq2 Chain A (length=173) Species: 10665 (Tequatrovirus T4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKASTVLQIAYLVSQESKCCSWKVGAVIEKNGRIISTGYNGSPAGGVNCC
DYAAEQGWLLNKRFVLAKEHRSAHSEWSSKNEIHAELNAILFAAENGSSI
EGATMYVTLSPCPDCAKAIAQSGIKKLVYCETYDKNKPGWDDILRNAGIE
VFNVPKKNLNKLNWENINEFCGE

Ligand ID

DDN

InChI

InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-8,12-13H,3-4H2,(H,10,14)(H2,15,16,17)/t5-,6+,7+,8+/m0/s1

InChIKey

ILSIYJVILUIVPM-LXGUWJNJSA-N

SMILES

Software	SMILES
CACTVS 3.341	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C[CH](O)NC2=O
CACTVS 3.341	O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C[C@@H](O)NC2=O
ACDLabs 10.04	O=C1NC(O)C=CN1C2OC(C(O)C2)COP(=O)(O)O
OpenEye OEToolkits 1.5.0	C1C(C(OC1N2C=CC(NC2=O)O)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O

Formula

C9 H15 N2 O8 P

Name

3,4-DIHYDRO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE;
((2R,3S,5R)-3-HYDROXY-5-(4-HYDROXY-2-OXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE

PDB chain

1vq2 Chain A Residue 308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1vq2 Three-Dimensional Structure of the R115E Mutant of T4-Bacteriophage 2'-Deoxycytidylate Deaminase
Resolution	2.2 Å
Binding residue (original residue number in PDB)	S21 W22 V24 N40 R91 H94 S95 S98 H104 E106 P131 C132 Y153
Binding residue (residue number reindexed from 1)	S21 W22 V24 N40 R71 H74 S75 S78 H84 E86 P111 C112 Y133
Annotation score	2

Enzyme Commision number

3.5.4.12: dCMP deaminase.

	Molecular Function
GO:0003824	catalytic activity
GO:0004132	dCMP deaminase activity
GO:0008270	zinc ion binding
GO:0016787	hydrolase activity
GO:0046872	metal ion binding

	Biological Process
GO:0006220	pyrimidine nucleotide metabolic process
GO:0009165	nucleotide biosynthetic process

PDB	RCSB:1vq2, PDBe:1vq2, PDBj:1vq2
PDBsum	1vq2
PubMed	15504034
UniProt	P16006\|DCTD_BPT4 Deoxycytidylate deaminase (Gene Name=CD)

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Structure of PDB 1vq2 Chain A Binding Site BS03