Browse entries in the PDBbind-CN Database

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Related entries of code: 2q9n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1onhRCSB PDB    PDBbind364aa, >1ONH_1|Chain... at 98%
2q9mRCSB PDB    PDBbind359aa, >2Q9M_1|Chain... at 100%
5xhrRCSB PDB    PDBbind365aa, >5XHR_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2q9n
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBeta-lactamase
Ligand NameLK5
EC.Number E.C.3.5.2.6
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=430nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. 50: 4113-4121
Ligand Properties
Formula C17H27NO4
Molecular Weight 309.401
Exact Mass 309.194
No. of atoms 49
No. of bonds 50
Polar Surface Area 75.96
LOGP Value 2.97      (Computed with XLOGP3)
2.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 5
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): P05364  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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