Browse entries in the PDBbind-CN Database

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Related entries of code: 3jwr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1fqjRCSB PDB    PDBbind42aa, >1FQJ_3|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1sojRCSB PDB    PDBbindIBM
1zklRCSB PDB    PDBbindIBM
1zknRCSB PDB    PDBbindIBM
2hd1RCSB PDB    PDBbindIBM
2r8qRCSB PDB    PDBbindIBM
3ecnRCSB PDB    PDBbindIBM
3ituRCSB PDB    PDBbindIBM
3qi4RCSB PDB    PDBbindIBM

Entry Information
PDB ID3jwr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namechimeric PDE5/PDE6 catalytic domain
Ligand NameIBM
EC.Number E.C.3.1.4.35
Resolution 2.99(Å)
Affinity (Kd/Ki/IC50)Ki=8.5nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Embo J. Vol. 28: pp. 3613-3622
Ligand Properties
Formula C10H14N4O2
Molecular Weight 222.244
Exact Mass 222.112
No. of atoms 30
No. of bonds 31
Polar Surface Area 72.68
LOGP Value 0.95      (Computed with XLOGP3)
0.08      (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: 6
No. of Rings: 2
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): P18545  P51160  O76074  
Entrez Gene IDNCBI Entrez Gene ID: 5148  5146  8654  
ASDInformation of known allosteric effects of PDB entries

 
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