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Related entries of code: 5e5g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ypoRCSB PDB    PDBbind462aa, >2YPO_1|Chains... at 100%
2yppRCSB PDB    PDBbind462aa, >2YPP_1|Chains... at 100%
3pfpRCSB PDB    PDBbind464aa, >3PFP_1|Chains... at 99%
3rziRCSB PDB    PDBbind462aa, >3RZI_1|Chains... at 100%
5e2lRCSB PDB    PDBbind464aa, >5E2L_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5e5g
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Name3-deoxy-D-arabinoheptulosonate-7-phosphate synthase (MtuDAH7PS)
Ligand NameDTR
EC.Number E.C.2.5.1.54
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Kd=700uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Plos One Vol. 11: pp. e0152723-e0152723
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): O53512  
Entrez Gene IDNCBI Entrez Gene ID: 888309  
ASDInformation of known allosteric effects of PDB entries

 
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