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Related entries of code: 4ysl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1lbkRCSB PDB    PDBbindGSH
1oe7RCSB PDB    PDBbindGSH
1oe8RCSB PDB    PDBbindGSH
1r4wRCSB PDB    PDBbindGSH
2ca8RCSB PDB    PDBbindGSH
2imdRCSB PDB    PDBbindGSH
3c8eRCSB PDB    PDBbindGSH
3e73RCSB PDB    PDBbindGSH
3lvwRCSB PDB    PDBbindGSH
4g0lRCSB PDB    PDBbindGSH
4g19RCSB PDB    PDBbindGSH
4myhRCSB PDB    PDBbindGSH
5g5fRCSB PDB    PDBbindGSH
Entry Information
PDB ID4ysl
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBeta-lactamase domain protein
Ligand NameGSH
EC.Number E.C.-.-.-.-
Resolution 1.46(Å)
Affinity (Kd/Ki/IC50)Kd=1.6uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Biol.Chem. Vol. 290: pp. 18914-18923
Ligand Properties
Formula C10H18N3O6S
Molecular Weight 308.331
Exact Mass 308.092
No. of atoms 38
No. of bonds 37
Polar Surface Area 199.24
LOGP Value -2.73      (Computed with XLOGP3)
-2.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 9
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): A5VWI3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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