Structure of PDB 4dvn Chain A Binding Site BS01

Receptor Information
>4dvn Chain A (length=161) Species: 268305 (Bovine viral diarrhea virus 1-CP7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENITQWNLQDNGTEGIQRAMFQRGVNRSLHGIWPEKICTGVPSHLATDTE
LKAIHGMMDASEKTNYTCCRLQRHEWNKHGWCNWYNIEPWILLMNKTQAN
LTEGQPLRECAVTCRYDRDSDLNVVTQARDSPTPLTGCKKGKNFSFAGIL
VQGPCNFEIAV
Ligand information
Ligand IDU2P
InChIInChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyHQIDPEYTETUCNF-XVFCMESISA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2OP(=O)(O)O)CO
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)OP(=O)(O)O
CACTVS 3.341OC[CH]1O[CH]([CH](O[P](O)(O)=O)[CH]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O[P](O)(O)=O)[C@@H]1O)N2C=CC(=O)NC2=O
FormulaC9 H13 N2 O9 P
NamePHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER;
URIDINE-2'-PHOSPHATE;
2'-URIDINEMONOPHOSPHATE
ChEMBLCHEMBL447360
DrugBank
ZINCZINC000004095997
PDB chain4dvn Chain A Residue 1118 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4dvn Crystal Structure of the Pestivirus Envelope Glycoprotein E(rns) and Mechanistic Analysis of Its Ribonuclease Activity.
Resolution2.38 Å
Binding residue
(original residue number in PDB)
H32 W35 H76 E77 K80 H81
Binding residue
(residue number reindexed from 1)
H30 W33 H74 E75 K78 H79
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.21.113: pestivirus NS3 polyprotein peptidase.
3.4.22.-
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.4.13: RNA helicase.
4.6.1.19: ribonuclease T2.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0033897 ribonuclease T2 activity

View graph for
Molecular Function
External links
PDB RCSB:4dvn, PDBe:4dvn, PDBj:4dvn
PDBsum4dvn
PubMed22579253
UniProtQ96662|POLG_BVDVC Genome polyprotein

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