Browse entries in the PDBbind-CN Database

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Related entries of code: 5iee
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5iefRCSB PDB    PDBbind88aa, >5IEF_2|Chain... at 100%
5iegRCSB PDB    PDBbind88aa, >5IEG_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1oimRCSB PDB    PDBbindNOJ
2j77RCSB PDB    PDBbindNOJ
2jkeRCSB PDB    PDBbindNOJ
2pwdRCSB PDB    PDBbindNOJ
3gbeRCSB PDB    PDBbindNOJ
3gxtRCSB PDB    PDBbindNOJ
4iidRCSB PDB    PDBbindNOJ
5nn5RCSB PDB    PDBbindNOJ

Entry Information
PDB ID5iee
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMurine endoplasmic reticulum alpha-glucosidase II (Mmalpha-GluII)
Ligand NameNOJ
EC.Number E.C.
Resolution 1.92(Å)
Affinity (Kd/Ki/IC50)IC50=11.4uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Proc.Natl.Acad.Sci.USA Vol. 113: pp. E4630-E4638
Ligand Properties
Formula C6H14NO4
Molecular Weight 164.180
Exact Mass 164.092
No. of atoms 25
No. of bonds 25
Polar Surface Area 97.53
LOGP Value -2.35      (Computed with XLOGP3)
-2.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): O08795  Q8BHN3  
Entrez Gene IDNCBI Entrez Gene ID: 19089  14376  
ASDInformation of known allosteric effects of PDB entries

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