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Related entries of code: 6ouv
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6ouv
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans
Ligand NameTDK
EC.Number E.C.2.2.1.7
Resolution 1.94(Å)
Affinity (Kd/Ki/IC50)Ki=2.8uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Biol.Chem. Vol. 294: pp. 12405-12414
Ligand Properties
Formula C15H30N4O11P3S
Molecular Weight 567.405
Exact Mass 567.084
No. of atoms 64
No. of bonds 65
Polar Surface Area 310.64
LOGP Value -3.28      (Computed with XLOGP3)
0.83      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 15
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): Q9RUB5  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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