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Related entries of code: 2xct
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 ID2xct
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameS. AUREUS GYRASE COMPLEX WITH 20-bp DNA
Ligand NameCPF
EC.Number E.C.5.99.1.3
Resolution 3.35(Å)
Affinity (Kd/Ki/IC50)IC50=31uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Nature Vol. 466: pp. 935-940
Ligand Properties
Formula C17H20FN3O3
Molecular Weight 333.357
Exact Mass 333.149
No. of atoms 44
No. of bonds 47
Polar Surface Area 81.26
LOGP Value 0.87      (Computed with XLOGP3)
2.02      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
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): P66937  Q99XG5  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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