Browse entries in the PDBbind-CN Database

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Related entries of code: 2pgj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2pglRCSB PDB    PDBbind262aa, >2PGL_1|Chains... at 99%
3u4hRCSB PDB    PDBbind262aa, >3U4H_1|Chains... at 100%
3u4iRCSB PDB    PDBbind262aa, >3U4I_1|Chains... at 100%
4tmfRCSB PDB    PDBbind257aa, >4TMF_1|Chains... at 99%
4xjsRCSB PDB    PDBbind262aa, >4XJS_1|Chain... at 96%
4xjtRCSB PDB    PDBbind262aa, >4XJT_1|Chain... at 96%
6edrRCSB PDB    PDBbind257aa, >6EDR_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2pglRCSB PDB    PDBbindN1C

Entry Information
PDB ID2pgj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameADP-ribosyl cyclase 1
Ligand NameN1C
EC.Number E.C.3.2.2.5
Resolution 1.71(Å)
Affinity (Kd/Ki/IC50)IC50=0.26mM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. 282: 24825-24832
Ligand Properties
Formula C15H20N4O14P2
Molecular Weight 542.285
Exact Mass 542.045
No. of atoms 55
No. of bonds 59
Polar Surface Area 287.88
LOGP Value -5.76      (Computed with XLOGP3)
-2.74      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 5
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): P28907  
Entrez Gene IDNCBI Entrez Gene ID: 952  
ASDInformation of known allosteric effects of PDB entries

 
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