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Related entries of code: 2iyf
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 ID2iyf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameOleD
Ligand NameERY
EC.Number E.C.2.4.1.-
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Ki=177.3uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2007) Proc.Natl.Acad.Sci.USA Vol. 104: pp. 5336
Ligand Properties
Formula C37H68NO13
Molecular Weight 734.935
Exact Mass 734.469
No. of atoms 119
No. of bonds 121
Polar Surface Area 195.11
LOGP Value 1.81      (Computed with XLOGP3)
0.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 14
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): Q53685  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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