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Related entries of code: 6iin
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6iikRCSB PDB    PDBbind399aa, >6IIK_1|Chains... *
6iilRCSB PDB    PDBbind399aa, >6IIL_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6iin
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameUbiquitin carboxyl-terminal hydrolase 14
Ligand NameA8O
EC.Number E.C.-.-.-.-
Resolution 2.53(Å)
Affinity (Kd/Ki/IC50)IC50=0.83uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Cell Res. Vol. 28: pp. 1186-1194
Ligand Properties
Formula C20H24N3O2
Molecular Weight 338.423
Exact Mass 338.187
No. of atoms 49
No. of bonds 51
Polar Surface Area 70.46
LOGP Value 2.46      (Computed with XLOGP3)
2.76      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): P54578  
Entrez Gene IDNCBI Entrez Gene ID: 9097  
ASDInformation of known allosteric effects of PDB entries
 
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