Browse entries in the PDBbind-CN Database

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Related entries of code: 4irx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2os9RCSB PDB    PDBbindINS

Entry Information
PDB ID4irx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSugar ABC transporter, periplasmic sugar-binding protein
Ligand NameINS
EC.Number E.C.-.-.-.-
Resolution 1.45(Å)
Affinity (Kd/Ki/IC50)Kd=0.76uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Bacteriol. Vol. 195: pp. 2379-2388
Ligand Properties
Formula C6H12O6
Molecular Weight 180.156
Exact Mass 180.063
No. of atoms 24
No. of bonds 24
Polar Surface Area 121.38
LOGP Value -3.71      (Computed with XLOGP3)
-3.83      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
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): A0A0H3C834  
Entrez Gene IDNCBI Entrez Gene ID: 7329943  
ASDInformation of known allosteric effects of PDB entries

 
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