Browse entries in the PDBbind-CN Database

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Related entries of code: 4und
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1uk0RCSB PDB    PDBbind350aa, >1UK0_1|Chains... at 99%
1uk1RCSB PDB    PDBbind350aa, >1UK1_1|Chains... at 99%
1wokRCSB PDB    PDBbind350aa, >1WOK_1|Chains... at 99%
2rcwRCSB PDB    PDBbind350aa, >2RCW_1|Chain... at 99%
2rd6RCSB PDB    PDBbind350aa, >2RD6_1|Chain... at 100%
3gjwRCSB PDB    PDBbind350aa, >3GJW_1|Chain... at 100%
3gn7RCSB PDB    PDBbind350aa, >3GN7_1|Chain... at 100%
3l3lRCSB PDB    PDBbind350aa, >3L3L_1|Chain... at 100%
3l3mRCSB PDB    PDBbind350aa, >3L3M_1|Chain... at 100%
4hhyRCSB PDB    PDBbind355aa, >4HHY_1|Chains... at 98%
4hhzRCSB PDB    PDBbind355aa, >4HHZ_1|Chains... at 98%
4l6sRCSB PDB    PDBbind353aa, >4L6S_1|Chains... at 99%
4pjtRCSB PDB    PDBbind370aa, >4PJT_1|Chains... at 97%
4r5wRCSB PDB    PDBbind358aa, >4R5W_1|Chains... at 98%
4r6eRCSB PDB    PDBbind358aa, >4R6E_1|Chains... at 98%
4uxbRCSB PDB    PDBbind352aa, >4UXB_1|Chains... at 100%
4zzzRCSB PDB    PDBbind362aa, >4ZZZ_1|Chains... at 96%
5a00RCSB PDB    PDBbind362aa, >5A00_1|Chain... at 96%
5ha9RCSB PDB    PDBbind351aa, >5HA9_1|Chains... at 99%
5xsrRCSB PDB    PDBbind355aa, >5XSR_1|Chain... at 98%
5xstRCSB PDB    PDBbind350aa, >5XST_1|Chain... at 99%
5xsuRCSB PDB    PDBbind355aa, >5XSU_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4pjtRCSB PDB    PDBbind2YQ
Entry Information
PDB ID4und
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePoly(ADP-ribose) Polymerase 1
Ligand Name2YQ
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=1.1nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 1262-1271
Ligand Properties
Formula C19H14F2N6O
Molecular Weight 380.351
Exact Mass 380.120
No. of atoms 42
No. of bonds 46
Polar Surface Area 88.49
LOGP Value 2.25      (Computed with XLOGP3)
2.77      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 7
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): P09874  
Entrez Gene IDNCBI Entrez Gene ID: 142  
ASDInformation of known allosteric effects of PDB entries
 
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