Browse entries in the PDBbind-CN Database

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Related entries of code: 4b1j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4na4RCSB PDB    PDBbind522aa, >4NA4_1|Chains... at 94%
6oa3RCSB PDB    PDBbind533aa, >6OA3_1|Chain... at 100%
6oa1RCSB PDB    PDBbind533aa, >6OA1_1|Chain... at 100%
6o9xRCSB PDB    PDBbind533aa, >6O9X_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4na4RCSB PDB    PDBbindA1R
6hh3RCSB PDB    PDBbindA1R

Entry Information
PDB ID4b1j
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePOLY(ADP-RIBOSE) GLYCOHYDROLASE, human PARG26 catalytic domain
Ligand NameA1R
EC.Number E.C.3.2.1.143
Resolution 2.08(Å)
Affinity (Kd/Ki/IC50)Kd=50.0nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Plos One Vol. 7: pp. 50889
Ligand Properties
Formula C15H27N6O12P2
Molecular Weight 545.355
Exact Mass 545.116
No. of atoms 62
No. of bonds 65
Polar Surface Area 312.17
LOGP Value -6.10      (Computed with XLOGP3)
-2.78      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 18
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): Q86W56  
Entrez Gene IDNCBI Entrez Gene ID: 670  8505  
ASDInformation of known allosteric effects of PDB entries

 
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