Browse entries in the PDBbind-CN Database

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Related entries of code: 5exw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3iucRCSB PDB    PDBbind408aa, >3IUC_1|Chains... *
3ldpRCSB PDB    PDBbind384aa, >3LDP_1|Chains... at 99%
5evzRCSB PDB    PDBbind400aa, >5EVZ_1|Chains... at 99%
5ey4RCSB PDB    PDBbind400aa, >5EY4_1|Chains... at 99%
5f1xRCSB PDB    PDBbind400aa, >5F1X_1|Chains... at 99%
5f2rRCSB PDB    PDBbind400aa, >5F2R_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 ID5exw
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain
Ligand Name7DT
EC.Number E.C.-.-.-.-
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Kd=150nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Plos One Vol. 11: pp. e0154862-e0154862
Ligand Properties
Formula C11H20N4O13P3
Molecular Weight 509.217
Exact Mass 509.024
No. of atoms 51
No. of bonds 53
Polar Surface Area 316.49
LOGP Value -5.51      (Computed with XLOGP3)
-1.76      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 17
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): P11021  
Entrez Gene IDNCBI Entrez Gene ID: 3309  
ASDInformation of known allosteric effects of PDB entries

 
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