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Related entries of code: 4hy1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4hxzRCSB PDB    PDBbind390aa, >4HXZ_1|Chains... *
4hymRCSB PDB    PDBbind390aa, >4HYM_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 ID4hy1
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameTopoisomerase IV, subunit B
Ligand Name19X
EC.Number E.C.5.99.1.3
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=2nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Bioorg.Med.Chem.Lett. Vol. 23: pp. 1529-1536
Ligand Properties
Formula C20H22ClN6OS
Molecular Weight 429.946
Exact Mass 429.126
No. of atoms 51
No. of bonds 55
Polar Surface Area 126.85
LOGP Value 3.09      (Computed with XLOGP3)
2.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
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): A0A0J9WZF0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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