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Related entries of code: 3s1y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2wzxRCSB PDB    PDBbind371aa, >2WZX_1|Chain... at 100%
2wzzRCSB PDB    PDBbind371aa, >2WZZ_1|Chain... at 100%
6s1sRCSB PDB    PDBbind397aa, >6S1S_1|Chain... *
3s22RCSB PDB    PDBbind371aa, >3S22_1|Chain... at 99%
4nk3RCSB PDB    PDBbind375aa, >4NK3_1|Chain... at 98%
4wyyRCSB PDB    PDBbind360aa, >4WYY_1|Chain... at 100%
4wz4RCSB PDB    PDBbind360aa, >4WZ4_1|Chain... at 100%
4x68RCSB PDB    PDBbind357aa, >4X68_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 ID3s1y
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-lactamase
Ligand NameS1Y
EC.Number E.C.3.5.2.6
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)IC50=0.6uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) BIOORG.MED.CHEM.LETT. Vol. 21, pp: 4267-4270
Ligand Properties
Formula C14H33N5O5S
Molecular Weight 383.507
Exact Mass 383.220
No. of atoms 58
No. of bonds 59
Polar Surface Area 182.67
LOGP Value -3.86      (Computed with XLOGP3)
-0.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
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): P24735  
Entrez Gene IDNCBI Entrez Gene ID: 878149  
ASDInformation of known allosteric effects of PDB entries

 
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