Structure of PDB 4wp4 Chain A Binding Site BS01

Receptor Information
>4wp4 Chain A (length=43) Species: 3981 (Hevea brasiliensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQCGRQAGGKLCPNNLCCSQWGWCGSTDEYCSPDHNCQSNCKD
Ligand information
Ligand IDTOU
InChIInChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
InChIKeyUMGDCJDMYOKAJW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=S)(N)N
CACTVS 3.341NC(N)=S
ACDLabs 10.04S=C(N)N
FormulaC H4 N2 S
NameTHIOUREA
ChEMBLCHEMBL260876
DrugBank
ZINCZINC000008437745
PDB chain4wp4 Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wp4 Impact of the vulcanization process on the structural characteristics and IgE recognition of two allergens, Hev b 2 and Hev b 6.02, extracted from latex surgical gloves.
Resolution1.43 Å
Binding residue
(original residue number in PDB)		S39 N40 C41
Binding residue
(residue number reindexed from 1)		S39 N40 C41
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

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Molecular Function
External links
PDB RCSB:4wp4, PDBe:4wp4, PDBj:4wp4
PDBsum4wp4
PubMed25700348
UniProtP02877|HEVE_HEVBR Pro-hevein (Gene Name=HEV1)

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