Browse entries in the PDBbind-CN Database

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Related entries of code: 6rne
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4oelRCSB PDB    PDBbind70aa, >4OEL_2|Chain... *
4oemRCSB PDB    PDBbind70aa, >4OEM_2|Chain... at 100%
6rniRCSB PDB    PDBbind69aa, >6RNI_3|Chain... at 100%
6rn9RCSB PDB    PDBbind69aa, >6RN9_3|Chain... at 100%
6rn7RCSB PDB    PDBbind69aa, >6RN7_3|Chain... at 100%
6rn6RCSB PDB    PDBbind69aa, >6RN6_3|Chains... at 100%
6ic7RCSB PDB    PDBbind69aa, >6IC7_3|Chain... at 100%
6ic6RCSB PDB    PDBbind69aa, >6IC6_3|Chain... at 100%
6ic5RCSB PDB    PDBbind69aa, >6IC5_3|Chain... 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 ID6rne
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDPP1
Ligand NameKA8
EC.Number E.C.3.4.14.1
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)IC50=1.58nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Med.Chem.Lett. Vol. 10: pp. 1222-1227
Ligand Properties
Formula C21H25FN4O
Molecular Weight 368.448
Exact Mass 368.201
No. of atoms 52
No. of bonds 54
Polar Surface Area 97.14
LOGP Value 2.15      (Computed with XLOGP3)
2.13      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 5
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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