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Related entries of code: 5wep
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5wewRCSB PDB    PDBbindA81
Entry Information
PDB ID5wep
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFosA3
Ligand NameA81
EC.Number E.C.-.-.-.-
Resolution 3.5(Å)
Affinity (Kd/Ki/IC50)Kd=440nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Antimicrob. Agents Chemother. Vol. 63: pp. -
Ligand Properties
Formula C15H7Br2N9O4
Molecular Weight 537.082
Exact Mass 534.899
No. of atoms 37
No. of bonds 41
Polar Surface Area 174.82
LOGP Value 0.14      (Computed with XLOGP3)
2.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 13
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 ACUniProt accession number (AC): D7UQM0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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