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Related entries of code: 1njj
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
5c4kRCSB PDB    PDBbindGET

Entry Information
PDB ID1njj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameornithine decarboxylase
Ligand NameGET
EC.Number E.C.4.1.1.17
Resolution 2.45(Å)
Affinity (Kd/Ki/IC50)Ki=8mM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v278 pp. 22037-43, 2003
Ligand Properties
Formula C20H44N4O10
Molecular Weight 500.584
Exact Mass 500.306
No. of atoms 78
No. of bonds 80
Polar Surface Area 257.83
LOGP Value -5.75      (Computed with XLOGP3)
-8.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 3
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): Q9TZZ6  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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