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Related entries of code: 4cjn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mwtRCSB PDB    PDBbind646aa, >1MWT_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4cjn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePenicillin binding Protein 2 Prime, PBP2a from MRSA
Ligand NameQNZ
EC.Number E.C.3.4.16.4
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Kd=17.54uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Am.Chem.Soc. Vol. 137: pp. 1738-1741
Ligand Properties
Formula C24H15N3O3
Molecular Weight 393.394
Exact Mass 393.111
No. of atoms 45
No. of bonds 48
Polar Surface Area 95.98
LOGP Value 4.85      (Computed with XLOGP3)
4.13      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
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): A0A0J9X1X5  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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