Browse entries in the PDBbind-CN Database

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Related entries of code: 6n5h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6n5gRCSB PDB    PDBbind336aa, >6N5G_1|Chain... at 100%
6n5fRCSB PDB    PDBbind336aa, >6N5F_1|Chain... at 100%
6n3zRCSB PDB    PDBbind336aa, >6N3Z_1|Chain... at 100%
6n3kRCSB PDB    PDBbind336aa, >6N3K_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3wkeRCSB PDB    PDBbindAUB
5am3RCSB PDB    PDBbindAUB
Entry Information
PDB ID6n5h
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTrEH
Ligand NameAUB
EC.Number E.C.-.-.-.-
Resolution 1.72(Å)
Affinity (Kd/Ki/IC50)IC50=357.9nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Int. J. Biol. Macromol. Vol. 129: pp. 653-658
Ligand Properties
Formula C24H32N2O4
Molecular Weight 412.522
Exact Mass 412.236
No. of atoms 62
No. of bonds 66
Polar Surface Area 87.66
LOGP Value 5.65      (Computed with XLOGP3)
5.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
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): G0R7E2  
Entrez Gene IDNCBI Entrez Gene ID: 18485504  
ASDInformation of known allosteric effects of PDB entries
 
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