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Related entries of code: 5d7r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ttzRCSB PDB    PDBbind198aa, >3TTZ_1|Chains... at 99%
3u2kRCSB PDB    PDBbind198aa, >3U2K_1|Chains... at 99%
5d6pRCSB PDB    PDBbind212aa, >5D6P_1|Chains... *
5d6qRCSB PDB    PDBbind212aa, >5D6Q_1|Chains... at 100%
5d7cRCSB PDB    PDBbind212aa, >5D7C_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 ID5d7r
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameATP binding domain of S. aureus GyrB
Ligand Name57Y
EC.Number E.C.
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)IC50=0.013uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Acs Med.Chem.Lett. Vol. 6: pp. 1080-1085
Ligand Properties
Formula C19H16N4O4S
Molecular Weight 396.420
Exact Mass 396.089
No. of atoms 44
No. of bonds 47
Polar Surface Area 160.46
LOGP Value 4.70      (Computed with XLOGP3)
3.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
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): P0A0K8  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

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