Browse entries in the PDBbind-CN Database

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Related entries of code: 3e85
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2zjfRCSB PDB    PDBbindBSU
5ai5RCSB PDB    PDBbindBSU

Entry Information
PDB ID3e85
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePlant pathogenesis-related proteins of class 10(PR-10)
Ligand NameBSU
EC.Number E.C.-.-.-.-
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Kd=4.2uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Febs J. Vol. 276: pp. 1596-1609
Ligand Properties
Formula C13H12N2O
Molecular Weight 212.247
Exact Mass 212.095
No. of atoms 28
No. of bonds 29
Polar Surface Area 41.13
LOGP Value 2.48      (Computed with XLOGP3)
3.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q9LLQ2  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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