Structure of PDB 7mlo Chain A Binding Site BS01

Receptor Information
>7mlo Chain A (length=260) 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
LMVYRCAPPP
Ligand information
Ligand IDZJ7
InChIInChI=1S/C14H14O2S/c1-8-6-9(2)13(10(3)7-8)11-4-5-12(17-11)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeyKRVQNZWUCJAZTJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC(=O)c1ccc(s1)c1c(C)cc(C)cc1C
OpenEye OEToolkits 2.0.7Cc1cc(c(c(c1)C)c2ccc(s2)C(=O)O)C
CACTVS 3.385Cc1cc(C)c(c(C)c1)c2sc(cc2)C(O)=O
FormulaC14 H14 O2 S
Name5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid
ChEMBLCHEMBL5090353
DrugBank
ZINC
PDB chain7mlo 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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PDB7mlo Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y183 R235 F240 I247 I251
Binding residue
(residue number reindexed from 1)		Y180 R232 F237 I244 I248
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:7mlo, PDBe:7mlo, PDBj:7mlo
PDBsum7mlo
PubMed34648707
UniProtP02879|RICI_RICCO Ricin

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