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Related entries of code: 5aqz
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%
5ar0RCSB PDB    PDBbind394aa, >5AR0_1|Chain... at 100%
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
3nynRCSB PDB    PDBbindSGV
6c9nRCSB PDB    PDBbindSGV
Entry Information
PDB ID5aqz
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namenucleotide-binding domain (NBD) of human HSC70 (HSC70-NBD)
Ligand NameSGV
EC.Number E.C.3.6.3.51
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Kd=3.3uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 4625-4636
Ligand Properties
Formula C12H15N5O5
Molecular Weight 309.278
Exact Mass 309.107
No. of atoms 37
No. of bonds 39
Polar Surface Area 169.74
LOGP Value -2.47      (Computed with XLOGP3)
-0.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 10
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): P0DMV8  
Entrez Gene IDNCBI Entrez Gene ID: 3303  3304  
ASDInformation of known allosteric effects of PDB entries
 
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