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Related entries of code: 3il5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3il6RCSB PDB    PDBbind321aa, >3IL6_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3il5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3-oxoacyl-acyl-carrier-protein synthase 3, FabH
Ligand NameB82
EC.Number E.C.2.3.1.180
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=1.6uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Febs Lett. Vol. 583: pp. 2939-2946
Ligand Properties
Formula C18H19BrN2O5S
Molecular Weight 455.323
Exact Mass 454.020
No. of atoms 46
No. of bonds 47
Polar Surface Area 112.16
LOGP Value 4.49      (Computed with XLOGP3)
4.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
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): Q820T1  
Entrez Gene IDNCBI Entrez Gene ID: 60894810  
ASDInformation of known allosteric effects of PDB entries

 
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