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Related entries of code: 2i03
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1n1mRCSB PDB    PDBbind728aa, >1N1M_1|Chains... at 99%
1nu8RCSB PDB    PDBbind728aa, >1NU8_1|Chains... at 99%
1rwqRCSB PDB    PDBbind728aa, >1RWQ_1|Chains... at 99%
1x70RCSB PDB    PDBbind728aa, >1X70_1|Chains... at 100%
2ajlRCSB PDB    PDBbind728aa, >2AJL_1|Chains... at 99%
2bgrRCSB PDB    PDBbind738aa, >2BGR_1|Chains... at 99%
2bubRCSB PDB    PDBbind728aa, >2BUB_1|Chains... at 99%
2fjpRCSB PDB    PDBbind728aa, >2FJP_1|Chains... at 100%
2g5pRCSB PDB    PDBbind726aa, >2G5P_1|Chains... at 99%
2g5tRCSB PDB    PDBbind726aa, >2G5T_1|Chains... at 99%
2g63RCSB PDB    PDBbind726aa, >2G63_1|Chains... at 99%
2hhaRCSB PDB    PDBbind728aa, >2HHA_1|Chains... at 100%
2iitRCSB PDB    PDBbind728aa, >2IIT_1|Chains... at 100%
2iivRCSB PDB    PDBbind728aa, >2IIV_1|Chains... at 100%
2oagRCSB PDB    PDBbind726aa, >2OAG_1|Chains... at 99%
2ogzRCSB PDB    PDBbind728aa, >2OGZ_1|Chains... at 99%
2oleRCSB PDB    PDBbind728aa, >2OLE_1|Chains... at 99%
2oncRCSB PDB    PDBbind731aa, >2ONC_1|Chains... at 99%
2ophRCSB PDB    PDBbind728aa, >2OPH_1|Chains... at 100%
2oqiRCSB PDB    PDBbind728aa, >2OQI_1|Chains... at 99%
2oqvRCSB PDB    PDBbind726aa, >2OQV_1|Chains... at 99%
2p8sRCSB PDB    PDBbind728aa, >2P8S_1|Chains... at 100%
2qkyRCSB PDB    PDBbind728aa, >2QKY_1|Chains... at 100%
2qoeRCSB PDB    PDBbind728aa, >2QOE_1|Chains... at 100%
2qt9RCSB PDB    PDBbind766aa, >2QT9_1|Chains... *
2qtbRCSB PDB    PDBbind766aa, >2QTB_1|Chains... at 100%
2rguRCSB PDB    PDBbind734aa, >2RGU_1|Chains... at 99%
2ripRCSB PDB    PDBbind729aa, >2RIP_1|Chain... at 99%
3bjmRCSB PDB    PDBbind728aa, >3BJM_1|Chains... at 99%
3c43RCSB PDB    PDBbind728aa, >3C43_1|Chains... at 100%
3c45RCSB PDB    PDBbind728aa, >3C45_1|Chains... at 100%
3ccbRCSB PDB    PDBbind740aa, >3CCB_1|Chains... at 98%
3cccRCSB PDB    PDBbind740aa, >3CCC_1|Chains... at 98%
3d4lRCSB PDB    PDBbind728aa, >3D4L_1|Chains... at 100%
3eioRCSB PDB    PDBbind728aa, >3EIO_1|Chains... at 99%
3f8sRCSB PDB    PDBbind748aa, >3F8S_1|Chains... at 98%
3g0bRCSB PDB    PDBbind740aa, >3G0B_1|Chains... at 98%
3g0cRCSB PDB    PDBbind740aa, >3G0C_1|Chains... at 98%
3g0dRCSB PDB    PDBbind740aa, >3G0D_1|Chains... at 98%
3g0gRCSB PDB    PDBbind740aa, >3G0G_1|Chains... at 98%
3habRCSB PDB    PDBbind728aa, >3HAB_1|Chains... at 100%
3hacRCSB PDB    PDBbind728aa, >3HAC_1|Chains... at 100%
3kwfRCSB PDB    PDBbind728aa, >3KWF_1|Chains... at 99%
3kwjRCSB PDB    PDBbind728aa, >3KWJ_1|Chains... at 99%
3noxRCSB PDB    PDBbind753aa, >3NOX_1|Chains... at 96%
3o95RCSB PDB    PDBbind740aa, >3O95_1|Chains... at 98%
3o9vRCSB PDB    PDBbind740aa, >3O9V_1|Chains... at 98%
3oc0RCSB PDB    PDBbind728aa, >3OC0_1|Chains... at 99%
3opmRCSB PDB    PDBbind740aa, >3OPM_1|Chains... at 98%
3swwRCSB PDB    PDBbind753aa, >3SWW_1|Chains... at 96%
3sx4RCSB PDB    PDBbind753aa, >3SX4_1|Chains... at 96%
3vjkRCSB PDB    PDBbind740aa, >3VJK_1|Chains... at 99%
3vjlRCSB PDB    PDBbind740aa, >3VJL_1|Chains... at 99%
3vjmRCSB PDB    PDBbind740aa, >3VJM_1|Chains... at 99%
3w2tRCSB PDB    PDBbind740aa, >3W2T_1|Chains... at 99%
3wqhRCSB PDB    PDBbind730aa, >3WQH_1|Chains... at 99%
4g1fRCSB PDB    PDBbind740aa, >4G1F_1|Chains... at 98%
4j3jRCSB PDB    PDBbind728aa, >4J3J_1|Chains... at 99%
4jh0RCSB PDB    PDBbind728aa, >4JH0_1|Chains... at 99%
4lkoRCSB PDB    PDBbind728aa, >4LKO_1|Chains... at 99%
4n8dRCSB PDB    PDBbind740aa, >4N8D_1|Chains... at 98%
4n8eRCSB PDB    PDBbind740aa, >4N8E_1|Chains... at 98%
4pv7RCSB PDB    PDBbind752aa, >4PV7_1|Chains... at 96%
5i7uRCSB PDB    PDBbind728aa, >5I7U_1|Chains... at 100%
5ismRCSB PDB    PDBbind728aa, >5ISM_1|Chains... at 100%
5kbyRCSB PDB    PDBbind740aa, >5KBY_1|Chains... at 98%
5t4bRCSB PDB    PDBbind728aa, >5T4B_1|Chains... at 100%
5t4eRCSB PDB    PDBbind728aa, >5T4E_1|Chains... at 100%
5t4fRCSB PDB    PDBbind728aa, >5T4F_1|Chains... at 100%
5t4hRCSB PDB    PDBbind728aa, >5T4H_1|Chains... at 100%
6b1eRCSB PDB    PDBbind728aa, >6B1E_1|Chains... at 100%
6b1oRCSB PDB    PDBbind728aa, >6B1O_1|Chains... at 100%
5y7kRCSB PDB    PDBbind728aa, >5Y7K_1|Chains... at 99%
5y7jRCSB PDB    PDBbind728aa, >5Y7J_1|Chains... at 99%
5y7hRCSB PDB    PDBbind728aa, >5Y7H_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2i03
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namedipeptidyl peptidase iv
Ligand NameAXD
EC.Number E.C.3.4.14.5
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=1.0nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. v49 pp. 6416-20, 2006
Ligand Properties
Formula C21H28N5O3
Molecular Weight 398.479
Exact Mass 398.219
No. of atoms 57
No. of bonds 59
Polar Surface Area 114.2
LOGP Value -0.23      (Computed with XLOGP3)
0.45      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
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): P27487  
Entrez Gene IDNCBI Entrez Gene ID: 1803  
ASDInformation of known allosteric effects of PDB entries
 
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