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Related entries of code: 2b1g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1m9nRCSB PDB    PDBbind613aa, >1M9N_1|Chains... *
1oz0RCSB PDB    PDBbind613aa, >1OZ0_1|Chains... at 100%
1thzRCSB PDB    PDBbind593aa, >1THZ_1|Chains... at 100%
2b1iRCSB PDB    PDBbind593aa, >2B1I_1|Chains... at 100%
2iu0RCSB PDB    PDBbind593aa, >2IU0_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 ID2b1g
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBifunctional purine biosynthesis protein PURH
Ligand Name13A
EC.Number E.C.3.5.4.10
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=0.23uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference J. Biol. Chem. 2007, 282, 13033-13046.
Ligand Properties
Formula C9H12N4O7S
Molecular Weight 320.279
Exact Mass 320.043
No. of atoms 33
No. of bonds 35
Polar Surface Area 171.39
LOGP Value -2.72      (Computed with XLOGP3)
-1.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
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): P31335  
Entrez Gene IDNCBI Entrez Gene ID: 396091  
ASDInformation of known allosteric effects of PDB entries

 
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