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Related entries of code: 4u82
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4u82
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameS. aureus undecaprenyl diphosphate synthase
Ligand NameFPS
EC.Number E.C.2.5.1.-
Resolution 1.66(Å)
Affinity (Kd/Ki/IC50)IC50=1.9uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 1215-1227
Ligand Properties
Formula C15H34O6P2S
Molecular Weight 404.439
Exact Mass 404.155
No. of atoms 58
No. of bonds 57
Polar Surface Area 162.86
LOGP Value 3.73      (Computed with XLOGP3)
4.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 0
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): P60477  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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