Browse entries in the PDBbind-CN Database

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Related entries of code: 1aj6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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%
6f96RCSB PDB    PDBbind221aa, >6F96_1|Chain... at 93%
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
4urnRCSB PDB    PDBbindNOV
4uroRCSB PDB    PDBbindNOV

Entry Information
PDB ID1aj6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameDNA gyrase b
Ligand NameNOV
EC.Number E.C.5.99.1.3
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=1.2uM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v36 pp. 9663-73, 1997
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 ACUniProt accession number (AC): P0AES6  
Entrez Gene IDNCBI Entrez Gene ID: 61752852  948211  
ASDInformation of known allosteric effects of PDB entries

 
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