Structure of PDB 8tab Chain A Binding Site BS01

Receptor Information
>8tab Chain A (length=258) Species: 3988 (Ricinus communis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQYPIINFTTAGATVQSYTNFIRAVRGRLTTGADVRHEIPVLPNRVGLPI
NQRFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQEDAEA
ITHLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAISALYY
YSTGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSAPDPS
VITLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILIPIIA
LMVYRCAP
Ligand information
Ligand IDU4T
InChIInChI=1S/C13H10O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H,14,15)
InChIKeyIGBRCZHGFVMFCR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc-2c(c1)CCc3c2sc(c3)C(=O)O
CACTVS 3.385OC(=O)c1sc2c(CCc3ccccc23)c1
FormulaC13 H10 O2 S
Name4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid;
4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic acid;
4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
ChEMBLCHEMBL1421818
DrugBank
ZINCZINC000000069806
PDB chain8tab Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tab Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Resolution2.26 Å
Binding residue
(original residue number in PDB)		Y183 R234 R235 F240
Binding residue
(residue number reindexed from 1)		Y180 R231 R232 F237
Annotation score1
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:8tab, PDBe:8tab, PDBj:8tab
PDBsum8tab
PubMed38340640
UniProtP02879|RICI_RICCO Ricin

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