Structure of PDB 4dvn Chain A Binding Site BS02

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 1119 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)
N9 H32 A62 Q129
Binding residue
(residue number reindexed from 1)
N7 H30 A60 Q127
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

[Back to BioLiP]