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Related entries of code: 6qxa
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 ID6qxa
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemembrane bound pyrophosphatase from Thermotoga maritima, TmPPase
Ligand NameGQB
EC.Number E.C.-.-.-.-
Resolution 3.41(Å)
Affinity (Kd/Ki/IC50)IC50=1.7uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Sci Adv Vol. 5: pp. eaav7574-eaav7574
Ligand Properties
Formula C17H14N4OS
Molecular Weight 322.384
Exact Mass 322.089
No. of atoms 37
No. of bonds 40
Polar Surface Area 112.04
LOGP Value 3.26      (Computed with XLOGP3)
4.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
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): Q9S5X0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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