Browse entries in the PDBbind-CN Database

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Related entries of code: 4i9s
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%
3cbsRCSB PDB    PDBbind137aa, >3CBS_1|Chain... at 100%
3cwkRCSB PDB    PDBbind137aa, >3CWK_1|Chain... at 96%
4i9rRCSB PDB    PDBbind137aa, >4I9R_1|Chain... at 95%
5ogbRCSB PDB    PDBbind138aa, >5OGB_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2g79RCSB PDB    PDBbindRET
3hx3RCSB PDB    PDBbindRET
3hy5RCSB PDB    PDBbindRET
4cizRCSB PDB    PDBbindRET
4edeRCSB PDB    PDBbindRET
4eejRCSB PDB    PDBbindRET
4efgRCSB PDB    PDBbindRET
4exzRCSB PDB    PDBbindRET
4gkcRCSB PDB    PDBbindRET
4i9rRCSB PDB    PDBbindRET
4ruuRCSB PDB    PDBbindRET
6e7mRCSB PDB    PDBbindRET
6e5sRCSB PDB    PDBbindRET
Entry Information
PDB ID4i9s
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCellular retinoic acid-binding protein 2 (R111K, R132L, Y134F, T54V, R59W mutation)
Ligand NameRET
EC.Number E.C.-.-.-.-
Resolution 2.58(Å)
Affinity (Kd/Ki/IC50)Kd=162nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Am.Chem.Soc. Vol. 135: pp. 16111-16119
Ligand Properties
Formula C20H30
Molecular Weight 270.452
Exact Mass 270.235
No. of atoms 50
No. of bonds 50
Polar Surface Area 0
LOGP Value 6.99      (Computed with XLOGP3)
6.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 0
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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