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Related entries of code: 5uxm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5uxnRCSB PDB    PDBbind453aa, >5UXN_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1qawRCSB PDB    PDBbindTRP
2a4mRCSB PDB    PDBbindTRP
3f3aRCSB PDB    PDBbindTRP
3qs4RCSB PDB    PDBbindTRP
3qs5RCSB PDB    PDBbindTRP
3qs6RCSB PDB    PDBbindTRP
3rziRCSB PDB    PDBbindTRP
4us3RCSB PDB    PDBbindTRP
4us4RCSB PDB    PDBbindTRP
5eb2RCSB PDB    PDBbindTRP
5k5sRCSB PDB    PDBbindTRP
6am8RCSB PDB    PDBbindTRP
6amiRCSB PDB    PDBbindTRP
6gg5RCSB PDB    PDBbindTRP
6os6RCSB PDB    PDBbindTRP
6os5RCSB PDB    PDBbindTRP
Entry Information
PDB ID5uxm
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePhospho-2-dehydro-3-deoxyheptonate aldolase
Ligand NameTRP
EC.Number E.C.2.5.1.54
Resolution 1.54(Å)
Affinity (Kd/Ki/IC50)Kd=3.6uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Biochemistry Vol. 57: pp. 2667-2678
Ligand Properties
Formula C11H13N2O2
Molecular Weight 205.233
Exact Mass 205.098
No. of atoms 28
No. of bonds 29
Polar Surface Area 80.73
LOGP Value -0.40      (Computed with XLOGP3)
0.41      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
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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