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Related entries of code: 2bua
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1orwRCSB PDB    PDBbind728aa, >1ORW_1|Chains... *
2aj8RCSB PDB    PDBbind728aa, >2AJ8_1|Chains... at 100%
2ajbRCSB PDB    PDBbind728aa, >2AJB_1|Chains... at 100%
2ajdRCSB PDB    PDBbind728aa, >2AJD_1|Chains... at 100%
2bucRCSB PDB    PDBbind728aa, >2BUC_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 ID2bua
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namedipeptidyl peptidase iv
Ligand Name007
EC.Number E.C.3.4.14.5
Resolution 2.56(Å)
Affinity (Kd/Ki/IC50)IC50=30uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem.Lett.v16;pp.1744
Ligand Properties
Formula C12H18N
Molecular Weight 176.278
Exact Mass 176.144
No. of atoms 31
No. of bonds 32
Polar Surface Area 27.64
LOGP Value 2.61      (Computed with XLOGP3)
1.74      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 1
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): P22411  
Entrez Gene IDNCBI Entrez Gene ID: 397492  
ASDInformation of known allosteric effects of PDB entries

 
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