Structure of PDB 1bhp Chain A Binding Site BS01

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 IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain1bhp Chain A Residue 52 [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)		N11 L15
Binding residue
(residue number reindexed from 1)		N11 L15
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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