Browse entries in the PDBbind-CN Database

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Related entries of code: 2r8q
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1sojRCSB PDB    PDBbindIBM
1zklRCSB PDB    PDBbindIBM
1zknRCSB PDB    PDBbindIBM
2hd1RCSB PDB    PDBbindIBM
3ecnRCSB PDB    PDBbindIBM
3ituRCSB PDB    PDBbindIBM
3jwrRCSB PDB    PDBbindIBM
3qi4RCSB PDB    PDBbindIBM

Entry Information
PDB ID2r8q
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameClass I phosphodiesterase PDEB1
Ligand NameIBM
EC.Number E.C.3.1.4.17
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)IC50=580uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Mol.Microbiol. 66: 1029-1038
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): Q6S996  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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