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Related entries of code: 4acf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2wgsRCSB PDB    PDBbind486aa, >2WGS_1|Chains... *
3zxrRCSB PDB    PDBbind486aa, >3ZXR_1|Chains... at 100%
3zxvRCSB PDB    PDBbind486aa, >3ZXV_1|Chains... at 100%
4xycRCSB PDB    PDBbind478aa, >4XYC_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4acf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGLUTAMINE SYNTHETASE 1
Ligand Name46B
EC.Number E.C.6.3.1.2
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=1.6uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Medchemcomm Vol. 3: pp. 620-626
Ligand Properties
Formula C19H21BrN3O3
Molecular Weight 419.292
Exact Mass 418.077
No. of atoms 47
No. of bonds 49
Polar Surface Area 78.45
LOGP Value 6.31      (Computed with XLOGP3)
3.93      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
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): P9WN39  
Entrez Gene IDNCBI Entrez Gene ID: 45426197  888383  
ASDInformation of known allosteric effects of PDB entries
 
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