Browse entries in the PDBbind-CN Database

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Related entries of code: 5j8x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1z6fRCSB PDB    PDBbind363aa, >1Z6F_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5fqbRCSB PDB    PDBbindOK3
5fqcRCSB PDB    PDBbindOK3
5ne1RCSB PDB    PDBbindOK3
Entry Information
PDB ID5j8x
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE. coli PBP5
Ligand NameOK3
EC.Number E.C.3.4.16.4
Resolution 2.53(Å)
Affinity (Kd/Ki/IC50)IC50=0.0016uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Nat.Commun. Vol. 7: pp. 1-8
Ligand Properties
Formula C17H18BN2O5
Molecular Weight 341.146
Exact Mass 341.131
No. of atoms 43
No. of bonds 45
Polar Surface Area 123.5
LOGP Value -0.22      (Computed with XLOGP3)
0.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
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): P0AEB2  
Entrez Gene IDNCBI Entrez Gene ID: 61756015  945222  
ASDInformation of known allosteric effects of PDB entries
 
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