Structure of PDB 1pag Chain B Binding Site BS01

Receptor Information
>1pag Chain B (length=262) Species: 3527 (Phytolacca americana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNTIIYNVGSTTISKYATFLNDLRNEAKDPSLKCYGIPMLPNTNTNPKYV
LVELQGSNKKTITLMLRRNNLYVMGYSDPFETNKCRYHIFNDISGTERQD
VETTLCPNANSRVSKNINFDSRYPTLESKAGVKSRSQVQLGIQILDSNIG
KISGVMSFTEKTEAEFLLVAIQMVSEAARFKYIENQVKTNFNRAFNPNPK
VLNLQETWGKISTAIHDAKNGVLPKPLELVDASGAKWIVLRVDEIKPDVA
LLNYVGGSCQTT
Ligand information
Ligand IDFMP
InChIInChI=1S/C10H14N5O7P/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(17)7(16)3(22-9)1-21-23(18,19)20/h2-3,7-9,16-17H,1H2,(H,14,15)(H2,11,12,13)(H2,18,19,20)/t3-,7-,8-,9+/m1/s1
InChIKeyPBAHXXBYQACZMA-KSYZLYKTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3)COP(=O)(O)O)O)O
CACTVS 3.341Nc1ncnc2c1[nH]nc2[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.341Nc1ncnc2c1[nH]nc2[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 10.04O=P(OCC3OC(c2nnc1c2ncnc1N)C(O)C3O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
FormulaC10 H14 N5 O7 P
NameFORMYCIN-5'-MONOPHOSPHATE
ChEMBL
DrugBankDB03464
ZINCZINC000013507295
PDB chain1pag Chain B Residue 263 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pag The 2.5 A structure of pokeweed antiviral protein.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y72 V73 S121 R122 Y123 I171 R179 Q205
Binding residue
(residue number reindexed from 1)		Y72 V73 S121 R122 Y123 I171 R179 Q205
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V73 E176 R179
Catalytic site (residue number reindexed from 1) V73 E176 R179
Enzyme Commision number 3.2.2.22: rRNA N-glycosylase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0030598 rRNA N-glycosylase activity
GO:0090729 toxin activity
Biological Process
GO:0017148 negative regulation of translation
GO:0035821 modulation of process of another organism
GO:0051607 defense response to virus

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1pag, PDBe:1pag, PDBj:1pag
PDBsum1pag
PubMed8411176
UniProtP10297|RIP1_PHYAM Antiviral protein I (Gene Name=PAP1)

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