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Related entries of code: 2i3z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2gbfRCSB PDB    PDBbind730aa, >2GBF_1|Chains... *
2gbgRCSB PDB    PDBbind730aa, >2GBG_1|Chains... at 100%
2gbiRCSB PDB    PDBbind730aa, >2GBI_1|Chains... 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 ID2i3z
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namedipeptidyl peptidase iv
Ligand NameLIR
EC.Number E.C.3.4.14.5
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)Ki=2nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem.Lett. v16 pp. 6226-30, 2006
Ligand Properties
Formula C19H21N6O2
Molecular Weight 365.409
Exact Mass 365.173
No. of atoms 48
No. of bonds 51
Polar Surface Area 111.56
LOGP Value 1.04      (Computed with XLOGP3)
-0.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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): P14740  
Entrez Gene IDNCBI Entrez Gene ID: 25253  
ASDInformation of known allosteric effects of PDB entries

 
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