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Related entries of code: 4iuo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4guiRCSB PDB    PDBbind255aa, >4GUI_1|Chains... at 99%
4gujRCSB PDB    PDBbind255aa, >4GUJ_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4guiRCSB PDB    PDBbindQIC
Entry Information
PDB ID4iuo
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name3-dehydroquinate dehydratase (K170M mutation)
Ligand NameQIC
EC.Number E.C.4.2.1.10
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Kd=0.23mM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Biochemistry Vol. 53: pp. 872-880
Ligand Properties
Formula C7H12O6
Molecular Weight 192.167
Exact Mass 192.063
No. of atoms 25
No. of bonds 25
Polar Surface Area 118.22
LOGP Value -1.49      (Computed with XLOGP3)
-2.32      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
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): P58687  
Entrez Gene IDNCBI Entrez Gene ID: 1252876  
ASDInformation of known allosteric effects of PDB entries
 
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