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Related entries of code: 3ho2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3hnzRCSB PDB    PDBbind427aa, >3HNZ_1|Chain... *
3ho9RCSB PDB    PDBbind427aa, >3HO9_1|Chain... 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 ID3ho2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE. coli FabF(C163A)
Ligand NameN32
EC.Number E.C.2.3.1.179
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=113nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg.Med.Chem.Lett. Vol. 19: pp. 4756-4759
Ligand Properties
Formula C24H27NO6
Molecular Weight 425.474
Exact Mass 425.184
No. of atoms 58
No. of bonds 61
Polar Surface Area 117.61
LOGP Value 3.26      (Computed with XLOGP3)
2.70      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
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): P0AAI5  
Entrez Gene IDNCBI Entrez Gene ID: 61755202  946665  
ASDInformation of known allosteric effects of PDB entries

 
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