Structure of PDB 1il4 Chain A Binding Site BS01

Receptor Information
>1il4 Chain A (length=267) Species: 3988 (Ricinus communis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IFPKQYPIINFTTAGATVQSYTNFIRAVRGRLTTGADVRHEIPVLPNRVG
LPINQRFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQED
AEAITHLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAISA
LYYYSTGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSAP
DPSVITLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILIP
IIALMVYRCAPPPSSQF
Ligand information
Ligand ID9DG
InChIInChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)
InChIKeyFFYPRJYSJODFFD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2cc[nH]c2C(=O)N1
OpenEye OEToolkits 1.5.0c1c[nH]c2c1N=C(NC2=O)N
ACDLabs 10.04O=C1c2c(N=C(N1)N)ccn2
FormulaC6 H6 N4 O
Name9-DEAZAGUANINE
ChEMBLCHEMBL367746
DrugBankDB04356
ZINCZINC000100004977
PDB chain1il4 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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PDB1il4 Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Y80 V81 G121 Y123 I172 E177 R180
Binding residue
(residue number reindexed from 1)		Y80 V81 G121 Y123 I172 E177 R180
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.85,IC50=1.4mM
BindingDB: IC50=1400000nM
Enzymatic activity
Catalytic site (original residue number in PDB) V81 E177 R180
Catalytic site (residue number reindexed from 1) V81 E177 R180
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:1il4, PDBe:1il4, PDBj:1il4
PDBsum1il4
PubMed11754581
UniProtP02879|RICI_RICCO Ricin

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