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Related entries of code: 1ork
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1ork
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nametetracycline repressor
Ligand NameATC
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Kd=1.56nM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v285 pp. 455-61, 1999
Ligand Properties
Formula C25H32N4O8
Molecular Weight 516.544
Exact Mass 516.222
No. of atoms 69
No. of bonds 72
Polar Surface Area 196.13
LOGP Value 0.23      (Computed with XLOGP3)
-2.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 4
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): P0ACT4  
Entrez Gene IDNCBI Entrez Gene ID: 59690034  
ASDInformation of known allosteric effects of PDB entries

 
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