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Related entries of code: 4ac3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4aawRCSB PDB    PDBbind459aa, >4AAW_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4ac3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameStreptococcus pneumoniae BIFUNCTIONAL PROTEIN GLMU
Ligand NameR83
EC.Number E.C.2.3.1.157;2.7.7.23
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=110uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 1510
Ligand Properties
Formula C22H29N3O5S
Molecular Weight 447.548
Exact Mass 447.183
No. of atoms 60
No. of bonds 62
Polar Surface Area 105.35
LOGP Value 2.47      (Computed with XLOGP3)
4.74      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
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 ACUniProt accession number (AC): Q8DQ18  
Entrez Gene IDNCBI Entrez Gene ID: 60234081  
ASDInformation of known allosteric effects of PDB entries
 
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