Structure of PDB 1bhp Chain A Binding Site BS02

Receptor Information
>1bhp Chain A (length=45) Species: 4565 (Triticum aestivum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSCCKSTLGRNCYNLCRARGAQKLCANVCRCKLTSGLSCPKDFPK
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain1bhp Chain A Residue 54 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bhp Refinement of purothionins reveals solute particles important for lattice formation and toxicity. Part 2: structure of beta-purothionin at 1.7 A resolution.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		S2 Y13
Binding residue
(residue number reindexed from 1)		S2 Y13
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006952 defense response

View graph for
Biological Process
External links
PDB RCSB:1bhp, PDBe:1bhp, PDBj:1bhp
PDBsum1bhp
PubMed15299761
UniProtP01543|THNB_WHEAT Purothionin A-1 (Gene Name=THI1.3)

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