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Related entries of code: 5kdr
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5kdr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namecarboxyltransferase from Staphylococcus Aureus
Ligand NameYT5
EC.Number E.C.6.4.1.2
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Ki=5nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Biochemistry Vol. 55: pp. 4666-4674
Ligand Properties
Formula C25H35N3O5
Molecular Weight 457.563
Exact Mass 457.258
No. of atoms 68
No. of bonds 69
Polar Surface Area 121.44
LOGP Value 2.89      (Computed with XLOGP3)
3.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 2
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): Q2FXM6  Q2FXM7  
Entrez Gene IDNCBI Entrez Gene ID: 3919279  3919278  
ASDInformation of known allosteric effects of PDB entries
 
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