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Related entries of code: 5uxn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5uxmRCSB PDB    PDBbind453aa, >5UXM_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2csmRCSB PDB    PDBbindTYR
2yppRCSB PDB    PDBbindTYR
4hsoRCSB PDB    PDBbindTYR
4ts1RCSB PDB    PDBbindTYR
6hniRCSB PDB    PDBbindTYR
Entry Information
PDB ID5uxn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePhospho-2-dehydro-3-deoxyheptonate aldolase
Ligand NameTYR
EC.Number E.C.2.5.1.54
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=23uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Biochemistry Vol. 57: pp. 2667-2678
Ligand Properties
Formula C9H12NO3
Molecular Weight 182.196
Exact Mass 182.082
No. of atoms 25
No. of bonds 25
Polar Surface Area 85.17
LOGP Value -0.88      (Computed with XLOGP3)
-0.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
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): Q9I000  
Entrez Gene IDNCBI Entrez Gene ID: 880259  
ASDInformation of known allosteric effects of PDB entries
 
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