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Related entries of code: 3u2k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ttzRCSB PDB    PDBbind198aa, >3TTZ_1|Chains... at 99%
5d6pRCSB PDB    PDBbind212aa, >5D6P_1|Chains... *
5d6qRCSB PDB    PDBbind212aa, >5D6Q_1|Chains... at 100%
5d7cRCSB PDB    PDBbind212aa, >5D7C_1|Chains... at 100%
5d7rRCSB PDB    PDBbind212aa, >5D7R_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 ID3u2k
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameATPase domain of S. aureus DNA gyrase subunit B
Ligand Name087
EC.Number E.C.
Resolution 1.64(Å)
Affinity (Kd/Ki/IC50)IC50=0.03uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Bioorg. Med. Chem. Lett., Vol.21, pp.7416-7420
Ligand Properties
Formula C17H18Cl3N5O2
Molecular Weight 430.716
Exact Mass 429.053
No. of atoms 45
No. of bonds 47
Polar Surface Area 104.11
LOGP Value 3.45      (Computed with XLOGP3)
4.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
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): P0A0K8  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

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