Browse entries in the PDBbind-CN Database

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Related entries of code: 4an0
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%
4an1RCSB PDB    PDBbind710aa, >4AN1_1|Chain... at 100%
4bcbRCSB PDB    PDBbind710aa, >4BCB_1|Chain... at 100%
4bccRCSB PDB    PDBbind710aa, >4BCC_1|Chain... at 100%
4bcdRCSB PDB    PDBbind710aa, >4BCD_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 ID4an0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePROLYL ENDOPEPTIDASE
Ligand Name2P6
EC.Number E.C.3.4.21.26
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=0.02nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochimie Vol. 94: pp. 1398-1411
Ligand Properties
Formula C20H25N3O2
Molecular Weight 339.431
Exact Mass 339.195
No. of atoms 50
No. of bonds 52
Polar Surface Area 64.41
LOGP Value 2.33      (Computed with XLOGP3)
2.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
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 ACUniProt accession number (AC): P23687  
Entrez Gene IDNCBI Entrez Gene ID: 445540  
ASDInformation of known allosteric effects of PDB entries

 
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