Structure of PDB 2qes Chain A Binding Site BS01

Receptor Information
>2qes Chain A (length=261) Species: 29725 (Phytolacca dioica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNTITFDVGNATINKYATFMESLRNEAKDPTLKCYGIPMLPDSNLTPKYV
LVKLQDASSKTITLMLRRNNLYVMGYSDLYNGKCRYHIFNDISSTESTDV
ENTLCPNSNSREKKAINYNSQYSTLQNKAGVSSRSQVQLGIQILNSDIGK
ISGVSTFTDKTEAEFLLVAIQMVSEAARFKYIENQVKTNFNRAFNPNPKV
LSLEENWGKISLAIHNAKNGALTSPLELKNADDTKWIVLRVDEIKPDMGL
LNYVSGTCQTT
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain2qes Chain A Residue 501 [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]
PDB2qes Atomic resolution (1.1 A) structure of the ribosome-inactivating protein PD-L4 from Phytolacca dioica L. leaves
Resolution1.24 Å
Binding residue
(original residue number in PDB)		Y72 V73 S120 Y122 I170 R178
Binding residue
(residue number reindexed from 1)		Y72 V73 S120 Y122 I170 R178
Annotation score4
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:0006952 defense response
GO:0017148 negative regulation of translation
GO:0035821 modulation of process of another organism

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2qes, PDBe:2qes, PDBj:2qes
PDBsum2qes
PubMed17963235
UniProtP84854|RIPL2_PHYDI Ribosome-inactivating protein PD-L3/PD-L4

[Back to BioLiP]