Browse entries in the PDBbind-CN Database

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Related entries of code: 4pax
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1efyRCSB PDB    PDBbind350aa, >1EFY_1|Chain... at 100%
2paxRCSB PDB    PDBbind361aa, >2PAX_1|Chain... at 99%
3paxRCSB PDB    PDBbind361aa, >3PAX_1|Chain... at 99%
6i8tRCSB PDB    PDBbind363aa, >6I8T_1|Chain... at 100%
6i8mRCSB PDB    PDBbind363aa, >6I8M_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4pnmRCSB PDB    PDBbindNU1

Entry Information
PDB ID4pax
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namepoly (adp-ribose) polymerase
Ligand NameNU1
EC.Number E.C.2.4.2.30
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)IC50=0.4uM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v37 pp. 3893-900, 1998
Ligand Properties
Formula C9H8N2O2
Molecular Weight 176.172
Exact Mass 176.059
No. of atoms 21
No. of bonds 22
Polar Surface Area 65.98
LOGP Value 0.34      (Computed with XLOGP3)
0.94      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
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): P26446  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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