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Related entries of code: 3hab
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%
2i03RCSB PDB    PDBbind726aa, >2I03_1|Chains... at 99%
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%
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 ID3hab
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDipeptidyl peptidase 4, DPP4
Ligand Name677
EC.Number E.C.3.4.14.5
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=4.2nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg.Med.Chem.Lett. Vol. 19: pp. 4097-4101
Ligand Properties
Formula C18H17F3N3O2S
Molecular Weight 396.407
Exact Mass 396.099
No. of atoms 44
No. of bonds 47
Polar Surface Area 87.98
LOGP Value 1.86      (Computed with XLOGP3)
2.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
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): P27487  
Entrez Gene IDNCBI Entrez Gene ID: 1803  
ASDInformation of known allosteric effects of PDB entries
 
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