Browse entries in the PDBbind-CN Database

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Related entries of code: 5tyk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5typRCSB PDB    PDBbind577aa, >5TYP_1|Chain... at 99%
5tyoRCSB PDB    PDBbind577aa, >5TYO_1|Chain... at 99%
5tynRCSB PDB    PDBbind577aa, >5TYN_1|Chain... at 99%
5tylRCSB PDB    PDBbind577aa, >5TYL_1|Chain... at 99%
5tyjRCSB PDB    PDBbind577aa, >5TYJ_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 ID5tyk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCarboxylic ester hydrolase
Ligand Name7N4
EC.Number E.C.3.1.1
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)IC50=22.4nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Proc.Natl.Acad.Sci.USA Vol. 116: pp. 21012-21021
Ligand Properties
Formula C13H12BClFO2
Molecular Weight 265.496
Exact Mass 265.060
No. of atoms 30
No. of bonds 31
Polar Surface Area 29.46
LOGP Value -1.45      (Computed with XLOGP3)
2.77      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
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): Q25252  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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