Browse entries in the PDBbind-CN Database

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Related entries of code: 3iof
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2gklRCSB PDB    PDBbind227aa, >2GKL_1|Chain... *
3iogRCSB PDB    PDBbind227aa, >3IOG_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 ID3iof
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namemetallo-Beta-lactamases (MBLs) subclass B2 enzyme CphA N220G mutant
Ligand NameIFS
EC.Number E.C.3.5.2.6
Resolution 1.44(Å)
Affinity (Kd/Ki/IC50)Ki=6uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Med.Chem. Vol. 53: pp. 4862-4876
Ligand Properties
Formula C13H21O3PS
Molecular Weight 288.343
Exact Mass 288.095
No. of atoms 39
No. of bonds 39
Polar Surface Area 84.14
LOGP Value 2.72      (Computed with XLOGP3)
3.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
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): P26918  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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