Structure of PDB 5z3i Chain A Binding Site BS01

Receptor Information
>5z3i Chain A (length=247) Species: 3816 (Abrus precatorius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPIKFSTEGATSQSYKQFIEALRERLRGGLIHDIPVLPDPTTLQERNRYI
TVELSNSDTESIEVGIDVTNAYVVAYRAGTQSHFLRDAPSSASDYLFTGT
DQHSLPFYGTYGDLERWAHQSRQQIPLGLQALTHGISFFRSGGNDNEEKA
RTLIVIIQMVAEAARFRYISNRVRVSIQTGTAFQPDAAMISLENNWDNLS
RGVQESVQDTFPNQVTLTNIRNEPVIVDSLSHPTVAVLALMLFVCNP
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 chain5z3i Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5z3i Structural basis for neutralization of cytotoxic abrin by monoclonal antibody D6F10.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y74 V75 G111 Y113 I159 R167
Binding residue
(residue number reindexed from 1)		Y72 V73 G109 Y111 I157 R165
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.2.22: rRNA N-glycosylase.
Gene Ontology
Molecular Function
GO:0030598 rRNA N-glycosylase activity
Biological Process
GO:0017148 negative regulation of translation

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Molecular Function
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Biological Process
External links
PDB RCSB:5z3i, PDBe:5z3i, PDBj:5z3i
PDBsum5z3i
PubMed30521151
UniProtP11140|ABRA_ABRPR Abrin-a

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