Browse entries in the PDBbind-CN Database

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Related entries of code: 4bcd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1qfsRCSB PDB    PDBbind710aa, >1QFS_1|Chain... *
2xdwRCSB PDB    PDBbind710aa, >2XDW_1|Chain... at 100%
3dduRCSB PDB    PDBbind709aa, >3DDU_1|Chain... at 98%
3eq7RCSB PDB    PDBbind710aa, >3EQ7_1|Chain... at 100%
3eq8RCSB PDB    PDBbind710aa, >3EQ8_1|Chain... at 100%
3eq9RCSB PDB    PDBbind710aa, >3EQ9_1|Chain... at 100%
4amyRCSB PDB    PDBbind710aa, >4AMY_1|Chain... at 100%
4amzRCSB PDB    PDBbind710aa, >4AMZ_1|Chain... at 100%
4an0RCSB PDB    PDBbind710aa, >4AN0_1|Chain... at 100%
4an1RCSB PDB    PDBbind710aa, >4AN1_1|Chain... at 100%
4bcbRCSB PDB    PDBbind710aa, >4BCB_1|Chain... at 100%
4bccRCSB PDB    PDBbind710aa, >4BCC_1|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 ID4bcd
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePROLYL ENDOPEPTIDASE
Ligand NameTDV
EC.Number E.C.3.4.21.26
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)IC50=33nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 9856
Ligand Properties
Formula C27H30FN5O2
Molecular Weight 475.558
Exact Mass 475.238
No. of atoms 65
No. of bonds 69
Polar Surface Area 71.33
LOGP Value 3.35      (Computed with XLOGP3)
3.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
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): P23687  
Entrez Gene IDNCBI Entrez Gene ID: 445540  
ASDInformation of known allosteric effects of PDB entries

 
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