Browse entries in the PDBbind-CN Database

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Related entries of code: 5nqe
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4f1lRCSB PDB    PDBbind193aa, >4F1L_1|Chains... at 98%
4f1qRCSB PDB    PDBbind193aa, >4F1Q_1|Chains... at 98%
4py4RCSB PDB    PDBbind189aa, >4PY4_1|Chains... at 100%
5lxpRCSB PDB    PDBbind193aa, >5LXP_1|Chains... at 98%
5lyhRCSB PDB    PDBbind193aa, >5LYH_1|Chains... at 98%
5v7tRCSB PDB    PDBbind194aa, >5V7T_1|Chain... *
5v7wRCSB PDB    PDBbind194aa, >5V7W_1|Chains... at 100%
6g0wRCSB PDB    PDBbind193aa, >6G0W_1|Chains... at 98%
6fzmRCSB PDB    PDBbind193aa, >6FZM_1|Chains... at 98%
6fymRCSB PDB    PDBbind193aa, >6FYM_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5nqe
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePoly [ADP-ribose] polymerase 14
Ligand Name94Z
EC.Number E.C.2.4.2.30
Resolution 2.71(Å)
Affinity (Kd/Ki/IC50)IC50=0.70uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Bioorg. Med. Chem. Lett. Vol. 27: pp. 2907-2911
Ligand Properties
Formula C21H23FN4O3
Molecular Weight 398.431
Exact Mass 398.175
No. of atoms 52
No. of bonds 54
Polar Surface Area 95.74
LOGP Value 1.03      (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: 8
No. of Nitrogen and Oxygen Atoms: 7
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): Q460N5  
Entrez Gene IDNCBI Entrez Gene ID: 54625  
ASDInformation of known allosteric effects of PDB entries
 
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