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Related entries of code: 5nbw
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5nbw
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameFab 22F12
Ligand Name8SK
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Kd=2.6nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Angew. Chem. Int. Ed. Engl. Vol. 56: pp. 10592-10597
Ligand Properties
Formula C20H12O
Molecular Weight 268.309
Exact Mass 268.089
No. of atoms 33
No. of bonds 37
Polar Surface Area 20.23
LOGP Value 5.93      (Computed with XLOGP3)
5.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 1
No. of Rings: 5
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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