Structure of PDB 6ury Chain A Binding Site BS01

Receptor Information
>6ury Chain A (length=268) Species: 3988 (Ricinus communis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIFPKQYPIINFTTAGATVQSYTNFIRAVRGRLTTGADVRHEIPVLPNRV
GLPINQRFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQE
DAEAITHLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAIS
ALYYYSTGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSA
PDPSVITLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILI
PIIALMVYRCAPPPSSQF
Ligand information
Ligand IDR6T
InChIInChI=1S/C14H9NO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H,(H2,15,17)
InChIKeyPRROCNFTWSJBTJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC(=O)c1cccc2C(=O)c3ccccc3c12
ACDLabs 12.01O=C(c2cccc3C(=O)c1ccccc1c23)N
OpenEye OEToolkits 2.0.7c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O
FormulaC14 H9 N O2
Name9-oxo-9H-fluorene-4-carboxamide
ChEMBLCHEMBL5219398
DrugBank
ZINCZINC000000135046
PDB chain6ury 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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PDB6ury Small Molecule Inhibitors Targeting the Interaction of Ricin Toxin A Subunit with Ribosomes.
Resolution1.54 Å
Binding residue
(original residue number in PDB)		E146 S149 A150 Y153
Binding residue
(residue number reindexed from 1)		E147 S150 A151 Y154
Annotation score1
Binding affinityMOAD: ic50=400uM
Enzymatic activity
Catalytic site (original residue number in PDB) V81 E177 R180
Catalytic site (residue number reindexed from 1) V82 E178 R181
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:6ury, PDBe:6ury, PDBj:6ury
PDBsum6ury
PubMed32428396
UniProtP02879|RICI_RICCO Ricin

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