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Related entries of code: 4rhu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4rhxRCSB PDB    PDBbind201aa, >4RHX_1|Chains... at 100%
4rhyRCSB PDB    PDBbind201aa, >4RHY_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4rhu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase, MtHGPRT
Ligand Name45T-3QE
EC.Number E.C.2.4.2.8
Resolution 2.57(Å)
Affinity (Kd/Ki/IC50)Ki=0.69uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 4822-4838
Ligand Properties
Formula C12H23N5O9P2
Molecular Weight 443.287
Exact Mass 443.097
No. of atoms 51
No. of bonds 52
Polar Surface Area 256.61
LOGP Value -5.39      (Computed with XLOGP3)
-1.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 14
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): P9WHQ9  
Entrez Gene IDNCBI Entrez Gene ID: 885398  
ASDInformation of known allosteric effects of PDB entries

 
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