Structure of PDB 3e85 Chain A Binding Site BS02

Receptor Information
>3e85 Chain A (length=154) Species: 3873 (Lupinus luteus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVFTFQDEYTSTIAPAKLYKALVTDADIIIPKAVETIQSVEIVEGNGGPG
TIKKLTFIEGGESKYVLHKIEAIDEANLGYNYSIVGGVGLPDTIEKISFE
TKLVEGANGGSIGKVTIKIETKGDAQPNEEEGKAAKARGDAFFKAIESYL
SAHP
Ligand information
Ligand IDBSU
InChIInChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChIKeyGWEHVDNNLFDJLR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=O)Nc2ccccc2
ACDLabs 10.04
CACTVS 3.341		O=C(Nc1ccccc1)Nc2ccccc2
FormulaC13 H12 N2 O
Name1,3-DIPHENYLUREA;
DIPHENYLCARBAMIDE
ChEMBLCHEMBL354676
DrugBankDB07496
ZINCZINC000012416741
PDB chain3e85 Chain A Residue 159 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3e85 Cytokinin-induced structural adaptability of a Lupinus luteus PR-10 protein.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		I37 F57 R138
Binding residue
(residue number reindexed from 1)		I37 F57 R138
Annotation score1
Binding affinityMOAD: Kd=4.2uM
PDBbind-CN: -logKd/Ki=5.38,Kd=4.2uM
Enzymatic activity
Enzyme Commision number 3.1.27.-
Gene Ontology
Molecular Function
GO:0004518 nuclease activity
GO:0004540 RNA nuclease activity
GO:0004864 protein phosphatase inhibitor activity
GO:0005509 calcium ion binding
GO:0010427 abscisic acid binding
GO:0038023 signaling receptor activity
GO:0044373 cytokinin binding
GO:0046872 metal ion binding
GO:1904408 melatonin binding
Biological Process
GO:0006952 defense response
GO:0009738 abscisic acid-activated signaling pathway
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3e85, PDBe:3e85, PDBj:3e85
PDBsum3e85
PubMed19220853
UniProtQ9LLQ2|P102B_LUPLU Class 10 plant pathogenesis-related protein 2B (Gene Name=PR10.2B)

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