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Related entries of code: 5n55
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5n58RCSB PDB    PDBbind266aa, >5N58_1|Chains... at 100%
5naiRCSB PDB    PDBbind266aa, >5NAI_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5n55
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameClass B metallo-beta-lactamase
Ligand Name8NN
EC.Number E.C.-.-.-.-
Resolution 1.99(Å)
Affinity (Kd/Ki/IC50)Kd=1.03uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Chem. Commun. (Camb.) Vol. 53: pp. 5806-5809
Ligand Properties
Formula C21H16ClN3O4
Molecular Weight 409.822
Exact Mass 409.083
No. of atoms 45
No. of bonds 48
Polar Surface Area 115.31
LOGP Value 5.47      (Computed with XLOGP3)
3.89      (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: 7
No. of Rings: 4
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): Q8GKX2  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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