Browse entries in the PDBbind-CN Database

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Related entries of code: 3o5n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5ovcRCSB PDB    PDBbind96aa, >5OVC_1|Chain... at 97%
5ovpRCSB PDB    PDBbind96aa, >5OVP_1|Chain... at 97%
6exjRCSB PDB    PDBbind96aa, >6EXJ_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3o5n
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameSH3 and multiple ankyrin repeat domains protein 3, Shank3 PDZ
Ligand NameBR0
EC.Number E.C.-.-.-.-
Resolution 1.83(Å)
Affinity (Kd/Ki/IC50)Ki=17.2uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Chemmedchem Vol. 6: pp. 1411-1422
Ligand Properties
Formula C14H14N2O6
Molecular Weight 306.271
Exact Mass 306.085
No. of atoms 36
No. of bonds 38
Polar Surface Area 132.45
LOGP Value 4.16      (Computed with XLOGP3)
2.72      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 8
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): Q4ACU6  
Entrez Gene IDNCBI Entrez Gene ID: 58234  
ASDInformation of known allosteric effects of PDB entries

 
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