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Related entries of code: 4nk3
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... *
3s1yRCSB PDB    PDBbind371aa, >3S1Y_1|Chain... at 99%
3s22RCSB PDB    PDBbind371aa, >3S22_1|Chain... at 99%
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
6qwbRCSB PDB    PDBbindMK7
6qwaRCSB PDB    PDBbindMK7
6qw9RCSB PDB    PDBbindMK7
6qw8RCSB PDB    PDBbindMK7
6qw7RCSB PDB    PDBbindMK7
Entry Information
PDB ID4nk3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-lactamase
Ligand NameMK7
EC.Number E.C.3.5.2.6
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=465nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Bioorg.Med.Chem.Lett. Vol. 24: pp. 780-785
Ligand Properties
Formula C12H26N4O6S
Molecular Weight 354.423
Exact Mass 354.157
No. of atoms 49
No. of bonds 50
Polar Surface Area 177.85
LOGP Value -3.70      (Computed with XLOGP3)
-0.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
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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