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Related entries of code: 5ar0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3atuRCSB PDB    PDBbind392aa, >3ATU_1|Chain... at 96%
3atvRCSB PDB    PDBbind392aa, >3ATV_1|Chain... at 96%
3ay9RCSB PDB    PDBbind392aa, >3AY9_1|Chain... at 96%
3d2eRCSB PDB    PDBbind382aa, >3D2E_2|Chains... at 99%
4io8RCSB PDB    PDBbind382aa, >4IO8_1|Chain... at 99%
5aqzRCSB PDB    PDBbind394aa, >5AQZ_1|Chain... *
5mkrRCSB PDB    PDBbind394aa, >5MKR_1|Chain... at 100%
5mksRCSB PDB    PDBbind394aa, >5MKS_1|Chain... at 100%
6fhkRCSB PDB    PDBbind381aa, >6FHK_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5ar0
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namenucleotide-binding domain (NBD) of human HSC70 (HSC70-NBD)
Ligand NameGB8
EC.Number E.C.3.6.3.51
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=0.72uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 4625-4636
Ligand Properties
Formula C20H21N7O4
Molecular Weight 423.425
Exact Mass 423.166
No. of atoms 52
No. of bonds 56
Polar Surface Area 164.46
LOGP Value 0.17      (Computed with XLOGP3)
0.83      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
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): P0DMV8  
Entrez Gene IDNCBI Entrez Gene ID: 3303  3304  
ASDInformation of known allosteric effects of PDB entries
 
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