Structure of PDB 8tad Chain A Binding Site BS01

Receptor Information
>8tad Chain A (length=253) Species: 3988 (Ricinus communis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQYPIINFTTAGATVQSYTNFIRAVRGRLTTGVRHEIPVLPNRVGLPINQ
RFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQEDAEAIT
HLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAISALYYYS
TGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSAPDPSVI
TLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILIPIIALM
VYR
Ligand information
Ligand IDZXJ
InChIInChI=1S/C15H14O2S/c1-15(2)8-9-7-12(14(16)17)18-13(9)10-5-3-4-6-11(10)15/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyPTOBLWZWMMBLGH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(Cc2cc(sc2-c3c1cccc3)C(=O)O)C
ACDLabs 12.01O=C(O)c1cc2CC(C)(C)c3ccccc3c2s1
CACTVS 3.385CC1(C)Cc2cc(sc2c3ccccc13)C(O)=O
FormulaC15 H14 O2 S
Name(9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8tad Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8tad Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Resolution2.76 Å
Binding residue
(original residue number in PDB)		Y183 L232 R234 R235 F240
Binding residue
(residue number reindexed from 1)		Y178 L227 R229 R230 F235
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:8tad, PDBe:8tad, PDBj:8tad
PDBsum8tad
PubMed38340640
UniProtP02879|RICI_RICCO Ricin

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