Browse entries in the PDBbind-CN Database

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Related entries of code: 3a6t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ppxRCSB PDB    PDBbind129aa, >1PPX_1|Chain... *
1punRCSB PDB    PDBbind129aa, >1PUN_1|Chain... at 100%
1puqRCSB PDB    PDBbind129aa, >1PUQ_1|Chain... at 100%
1pusRCSB PDB    PDBbind129aa, >1PUS_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ppxRCSB PDB    PDBbind8OG
1punRCSB PDB    PDBbind8OG
1puqRCSB PDB    PDBbind8OG
1pusRCSB PDB    PDBbind8OG
Entry Information
PDB ID3a6t
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameMutator mutT protein
Ligand Name8OG
EC.Number E.C.3.6.1.-
Resolution 1.96(Å)
Affinity (Kd/Ki/IC50)Kd=52nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2010) J.Biol.Chem. Vol. 285: pp. 444-452
Ligand Properties
Formula C10H13N5O8P
Molecular Weight 362.213
Exact Mass 362.050
No. of atoms 37
No. of bonds 39
Polar Surface Area 217.46
LOGP Value -3.09      (Computed with XLOGP3)
-3.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 13
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): P08337  
Entrez Gene IDNCBI Entrez Gene ID: 944824  
ASDInformation of known allosteric effects of PDB entries
 
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