Browse entries in the PDBbind-CN Database

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Related entries of code: 5tyn
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%
5tylRCSB PDB    PDBbind577aa, >5TYL_1|Chain... at 99%
5tykRCSB PDB    PDBbind577aa, >5TYK_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 ID5tyn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCarboxylic ester hydrolase
Ligand Name7NS
EC.Number E.C.3.1.1
Resolution 1.53(Å)
Affinity (Kd/Ki/IC50)IC50=0.52nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Proc.Natl.Acad.Sci.USA Vol. 116: pp. 21012-21021
Ligand Properties
Formula C10H10BBrNO
Molecular Weight 250.907
Exact Mass 250.004
No. of atoms 24
No. of bonds 25
Polar Surface Area 32.59
LOGP Value 1.55      (Computed with XLOGP3)
1.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
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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