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Related entries of code: 2w4i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2jfzRCSB PDB    PDBbind255aa, >2JFZ_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2w4i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGlutamate racemase (MurI)
Ligand NameVGA
EC.Number E.C.5.1.1.3
Resolution 1.87(Å)
Affinity (Kd/Ki/IC50)IC50=0.5uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg.Med.Chem.Lett. Vol. 19: pp. 930-936
Ligand Properties
Formula C22H19N3OS
Molecular Weight 373.471
Exact Mass 373.125
No. of atoms 46
No. of bonds 50
Polar Surface Area 76.43
LOGP Value 3.24      (Computed with XLOGP3)
2.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 5
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): Q9ZLT0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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