Structure of PDB 1wuw Chain B Binding Site BS01

Receptor Information
>1wuw Chain B (length=45) Species: 4513 (Hordeum vulgare) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSCCRSTLGRNCYNLCRVRGAQKLCANACRCKLTSGLKCPSSFPK
Ligand information
Ligand IDTSU
InChIInChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKeyJOXIMZWYDAKGHI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Cc1ccc(cc1)[S](O)(=O)=O
ACDLabs 12.01O=S(=O)(O)c1ccc(cc1)C
OpenEye OEToolkits 1.7.0Cc1ccc(cc1)S(=O)(=O)O
FormulaC7 H8 O3 S
NamePARA-TOLUENE SULFONATE
ChEMBLCHEMBL541253
DrugBankDB03120
ZINCZINC000006427042
PDB chain1wuw Chain B Residue 102 [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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PDB1wuw Crystal structure of alpha-hordothionin at 1.9 Angstrom resolution.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R55 S56 L58 G59 R80
Binding residue
(residue number reindexed from 1)		R5 S6 L8 G9 R30
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006952 defense response

View graph for
Biological Process
External links
PDB RCSB:1wuw, PDBe:1wuw, PDBj:1wuw
PDBsum1wuw
PubMed15848162
UniProtP21742|THNB_HORVU Beta-hordothionin (Gene Name=THI1.2)

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