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Related entries of code: 6n17
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6n19RCSB PDB    PDBbind461aa, >6N19_1|Chains... at 100%
6djjRCSB PDB    PDBbind461aa, >6DJJ_1|Chains... at 100%
6djdRCSB PDB    PDBbind461aa, >6DJD_1|Chains... at 100%
6dimRCSB PDB    PDBbind461aa, >6DIM_1|Chains... at 100%
6dihRCSB PDB    PDBbind461aa, >6DIH_1|Chains... at 100%
6dieRCSB PDB    PDBbind461aa, >6DIE_1|Chains... at 100%
6dhuRCSB PDB    PDBbind461aa, >6DHU_1|Chains... *
6djiRCSB PDB    PDBbind461aa, >6DJI_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 ID6n17
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosyl-DNA phosphodiesterase 1
Ligand NameK8Y
EC.Number E.C.3.1.4
Resolution 1.64(Å)
Affinity (Kd/Ki/IC50)IC50=1.01mM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Nucleic Acids Res. Vol. 47: pp. 10134-10150
Ligand Properties
Formula C12H11NO7
Molecular Weight 281.218
Exact Mass 281.054
No. of atoms 31
No. of bonds 31
Polar Surface Area 141
LOGP Value 3.19      (Computed with XLOGP3)
0.96      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
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): Q9NUW8  
Entrez Gene IDNCBI Entrez Gene ID: 55775  
ASDInformation of known allosteric effects of PDB entries

 
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