Browse entries in the PDBbind-CN Database

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Related entries of code: 4pm0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1zklRCSB PDB    PDBbind353aa, >1ZKL_1|Chain... at 100%
3g3nRCSB PDB    PDBbind318aa, >3G3N_1|Chain... at 100%
4y2bRCSB PDB    PDBbind389aa, >4Y2B_1|Chain... 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 ID4pm0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHigh affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A PDE7A
Ligand Name32V
EC.Number E.C.3.1.4.53
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=45nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 9844-9854
Ligand Properties
Formula C15H20N3OS
Molecular Weight 290.404
Exact Mass 290.133
No. of atoms 40
No. of bonds 42
Polar Surface Area 75.54
LOGP Value 1.44      (Computed with XLOGP3)
2.55      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
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): Q13946  
Entrez Gene IDNCBI Entrez Gene ID: 5150  
ASDInformation of known allosteric effects of PDB entries

 
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