Browse entries in the PDBbind-CN Database

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Related entries of code: 5e13
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hi3RCSB PDB    PDBbind135aa, >1HI3_1|Chain... at 100%
1hi4RCSB PDB    PDBbind135aa, >1HI4_1|Chain... at 100%
1hi5RCSB PDB    PDBbind135aa, >1HI5_1|Chain... at 100%
2bzzRCSB PDB    PDBbind135aa, >2BZZ_1|Chain... at 100%
2c02RCSB PDB    PDBbind135aa, >2C02_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5e13
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameEosinophil-derived neurotoxin
Ligand Name5J9
EC.Number E.C.3.1.27.5
Resolution 1.34(Å)
Affinity (Kd/Ki/IC50)Ki=57.8uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Bioorg.Chem. Vol. 63: pp. 152-165
Ligand Properties
Formula C17H19N11O4
Molecular Weight 441.404
Exact Mass 441.162
No. of atoms 51
No. of bonds 55
Polar Surface Area 211.66
LOGP Value -3.50      (Computed with XLOGP3)
-1.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 5
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): P10153  
Entrez Gene IDNCBI Entrez Gene ID: 6036  
ASDInformation of known allosteric effects of PDB entries
 
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