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Related entries of code: 5bnr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1mzsRCSB PDB    PDBbind317aa, >1MZS_1|Chain... *
4z8dRCSB PDB    PDBbind317aa, >4Z8D_1|Chains... at 100%
5bnmRCSB PDB    PDBbind317aa, >5BNM_1|Chains... at 100%
5bnsRCSB PDB    PDBbind317aa, >5BNS_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5bnr
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE. coli FabH
Ligand Name4VL
EC.Number E.C.2.3.1.180
Resolution 1.89(Å)
Affinity (Kd/Ki/IC50)IC50=0.53uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Acs Infect Dis. Vol. 2: pp. 456-464
Ligand Properties
Formula C18H19FN2O3
Molecular Weight 330.353
Exact Mass 330.138
No. of atoms 43
No. of bonds 45
Polar Surface Area 73.66
LOGP Value 3.37      (Computed with XLOGP3)
2.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): P0A6R0  
Entrez Gene IDNCBI Entrez Gene ID: 61755206  946003  
ASDInformation of known allosteric effects of PDB entries
 
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