Browse entries in the PDBbind-CN Database

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Related entries of code: 3cbs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2cbsRCSB PDB    PDBbind137aa, >2CBS_1|Chain... at 100%
2fr3RCSB PDB    PDBbind137aa, >2FR3_1|Chain... at 100%
2g78RCSB PDB    PDBbind137aa, >2G78_1|Chain... at 98%
2g79RCSB PDB    PDBbind137aa, >2G79_1|Chain... at 98%
3cwkRCSB PDB    PDBbind137aa, >3CWK_1|Chain... at 96%
4i9rRCSB PDB    PDBbind137aa, >4I9R_1|Chain... at 95%
4i9sRCSB PDB    PDBbind137aa, >4I9S_1|Chain... at 96%
5ogbRCSB PDB    PDBbind138aa, >5OGB_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3cbs
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecrabp-ii
Ligand NameR12
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=58nM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference Acta Crystallogr., Sect.D v55 pp. 1850-7, 1999
Ligand Properties
Formula C20H24O3
Molecular Weight 312.403
Exact Mass 312.173
No. of atoms 47
No. of bonds 47
Polar Surface Area 57.53
LOGP Value 7.09      (Computed with XLOGP3)
4.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
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): P29373  
Entrez Gene IDNCBI Entrez Gene ID: 1382  
ASDInformation of known allosteric effects of PDB entries
 
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