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Related entries of code: 2gbf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2gbgRCSB PDB    PDBbind730aa, >2GBG_1|Chains... at 100%
2gbiRCSB PDB    PDBbind730aa, >2GBI_1|Chains... at 100%
2i3zRCSB PDB    PDBbind730aa, >2I3Z_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 ID2gbf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namedipeptidyl peptidase iv
Ligand NameAIA
EC.Number E.C.3.4.14.5
Resolution 3.1(Å)
Affinity (Kd/Ki/IC50)Ki=12nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v45 pp. 7474-82, 2006
Ligand Properties
Formula C14H22N3O
Molecular Weight 248.344
Exact Mass 248.176
No. of atoms 40
No. of bonds 41
Polar Surface Area 71.8
LOGP Value 0.97      (Computed with XLOGP3)
0.47      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
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): P14740  
Entrez Gene IDNCBI Entrez Gene ID: 25253  
ASDInformation of known allosteric effects of PDB entries

 
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