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Related entries of code: 6g9s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6g9fRCSB PDB    PDBbind561aa, >6G9F_1|Chain... 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 ID6g9s
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePeptidoglycan D,D-transpeptidase MrdA
Ligand NameET5
EC.Number E.C.3.4.16.4
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=0.01uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 4742-4754
Ligand Properties
Formula C10H18N4O6S
Molecular Weight 322.338
Exact Mass 322.095
No. of atoms 39
No. of bonds 40
Polar Surface Area 185.81
LOGP Value -4.78      (Computed with XLOGP3)
-1.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 10
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): P0AD65  
Entrez Gene IDNCBI Entrez Gene ID: 61756018  945240  
ASDInformation of known allosteric effects of PDB entries

 
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