Structure of PDB 3le7 Chain B Binding Site BS01

Receptor Information
>3le7 Chain B (length=261) Species: 29725 (Phytolacca dioica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INTITYDAGNTTINKYATFMESLRNEAKDPSLQCYGIPMLPNNSSTIKYL
LVKLQGASQKTITLMLRRNNLYVMGYSDPFNGNCRYHIFNDITGTERTNV
ENTLCSSSSSRDAKPINYNSLYSTLEKKAEVNSRSQVQLGIQILSSDIGK
ISGQSSFTDKTEAKFLLVAIQMVSEAARFKYIENQVKTNFNRDFSPNDKI
LDLEENWGKISTAIHDATNGALPKPLELKNADGTKWIVLRVDEIKPDMGL
LNYVNGTCQTT
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 chain3le7 Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3le7 The role of the glycan moiety on the structure-function relationships of PD-L1, type 1 ribosome-inactivating protein from P. dioica leaves
Resolution1.65 Å
Binding residue
(original residue number in PDB)		L74 Y75 V76 S123 Y125 I173 S177 R181
Binding residue
(residue number reindexed from 1)		L71 Y72 V73 S120 Y122 I170 S174 R178
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V76 E178 R181
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

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Molecular Function
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Biological Process
External links
PDB RCSB:3le7, PDBe:3le7, PDBj:3le7
PDBsum3le7
PubMed20174685
UniProtP84853|RIPL1_PHYDI Ribosome-inactivating protein PD-L1/PD-L2

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