Structure of PDB 1wuw Chain A Binding Site BS02

Receptor Information
>1wuw Chain A (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 IDSER
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyMTCFGRXMJLQNBG-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CO)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)O
CACTVS 3.341N[C@@H](CO)C(O)=O
ACDLabs 10.04O=C(O)C(N)CO
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)O
FormulaC3 H7 N O3
NameSERINE
ChEMBLCHEMBL11298
DrugBankDB00133
ZINCZINC000000895034
PDB chain1wuw Chain A Residue 103 [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)		S2 Y13 R17 Q22
Binding residue
(residue number reindexed from 1)		S2 Y13 R17 Q22
Annotation score4
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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