Structure of PDB 1j1s Chain A Binding Site BS01

Receptor Information
>1j1s Chain A (length=261) Species: 3527 (Phytolacca americana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INTITFDAGNATINKYATFMESLRNEAKDPSLKCYGIPMLPNTNSTIKYL
LVKLQGASLKTITLMLRRNNLYVMGYSDPYDNKCRYHIFNDIKGTEYSDV
ENTLCPSSNPRVAKPINYNGLYPTLEKKAGVTSRNEVQLGIQILSSDIGK
ISGQGSFTEKIEAKFLLVAIQMVSEAARFKYIENQVKTNFNRDFSPNDKV
LDLEENWGKISTAIHNSKNGALPKPLELKNADGTKWIVLRVDEIKPDVGL
LNYVNGTCQAT
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 chain1j1s Chain A Residue 701 [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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PDB1j1s Crystal Structure of Pokweed Antiviral Protein from Seeds (PAP-S1) at 1.8 Angstrom Resolution
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y72 V73 G120 Y122 I170 E175 R178 E204
Binding residue
(residue number reindexed from 1)		Y72 V73 G120 Y122 I170 E175 R178 E204
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) V73 E175 R178
Catalytic site (residue number reindexed from 1) V73 E175 R178
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:1j1s, PDBe:1j1s, PDBj:1j1s
PDBsum1j1s
PubMed
UniProtP23339|RIPS_PHYAM Antiviral protein S

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