Browse entries in the PDBbind-CN Database

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Related entries of code: 4urn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4urlRCSB PDB    PDBbind406aa, >4URL_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1aj6RCSB PDB    PDBbindNOV
4uroRCSB PDB    PDBbindNOV

Entry Information
PDB ID4urn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDNA TOPOISOMERASE IV, B SUBUNIT ParE24
Ligand NameNOV
EC.Number E.C.5.99.1.3
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=35uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Acs Chem.Biol. Vol. 9: pp. 2023-2031
Ligand Properties
Formula C31H36N2O11
Molecular Weight 612.624
Exact Mass 612.232
No. of atoms 80
No. of bonds 83
Polar Surface Area 200.01
LOGP Value 3.32      (Computed with XLOGP3)
4.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 13
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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