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Related entries of code: 3lce
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1e3uRCSB PDB    PDBbind246aa, >1E3U_2|Chain... at 99%
1h8yRCSB PDB    PDBbind247aa, >1H8Y_1|Chains... at 96%
2wgiRCSB PDB    PDBbind248aa, >2WGI_1|Chains... *
6rtnRCSB PDB    PDBbind247aa, >6RTN_1|Chains... at 99%
4wz5RCSB PDB    PDBbind248aa, >4WZ5_2|Chains... at 99%
5fq9RCSB PDB    PDBbind248aa, >5FQ9_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 ID3lce
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameOxa-10 Beta-Lactamase
Ligand NameLCE
EC.Number E.C.3.5.2.6
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=156uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Am.Chem.Soc. Vol. 132: pp. 2558-2560
Ligand Properties
Formula C8H10Cl2O4S
Molecular Weight 273.134
Exact Mass 271.968
No. of atoms 25
No. of bonds 26
Polar Surface Area 92.06
LOGP Value 2.04      (Computed with XLOGP3)
0.94      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
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): P14489  
Entrez Gene IDNCBI Entrez Gene ID: 56327504  60671677  
ASDInformation of known allosteric effects of PDB entries
 
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