Browse entries in the PDBbind-CN Database

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Related entries of code: 6f96
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1aj6RCSB PDB    PDBbind219aa, >1AJ6_1|Chain... at 93%
1kznRCSB PDB    PDBbind205aa, >1KZN_1|Chain... at 100%
4duhRCSB PDB    PDBbind220aa, >4DUH_1|Chains... at 93%
4zviRCSB PDB    PDBbind377aa, >4ZVI_1|Chain... at 100%
5l3jRCSB PDB    PDBbind378aa, >5L3J_1|Chain... *
5z4hRCSB PDB    PDBbind207aa, >5Z4H_1|Chains... at 100%
5z4oRCSB PDB    PDBbind207aa, >5Z4O_1|Chains... at 100%
5z9eRCSB PDB    PDBbind207aa, >5Z9E_1|Chains... at 100%
6f94RCSB PDB    PDBbind221aa, >6F94_1|Chain... at 93%
6f8jRCSB PDB    PDBbind221aa, >6F8J_1|Chain... at 93%
6f86RCSB PDB    PDBbind206aa, >6F86_1|Chain... 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 ID6f96
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDNA gyrase subunit B
Ligand NameD0K
EC.Number E.C.;
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=19nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Bioorg.Med.Chem. Vol. 27: pp. 3546-3550
Ligand Properties
Formula C21H22N6O3
Molecular Weight 406.438
Exact Mass 406.175
No. of atoms 52
No. of bonds 54
Polar Surface Area 117.27
LOGP Value 2.39      (Computed with XLOGP3)
4.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 9
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 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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