Browse entries in the PDBbind-CN Database

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Related entries of code: 4io8
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%
5aqzRCSB PDB    PDBbind394aa, >5AQZ_1|Chain... *
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4io8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHeat shock 70kDa protein 1A variant
Ligand Name3FD
EC.Number E.C.-.-.-.-
Resolution 2.58(Å)
Affinity (Kd/Ki/IC50)Kd=228nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Plos One Vol. 8: pp. e78443-e78443
Ligand Properties
Formula C25H23Cl2N7O4
Molecular Weight 556.401
Exact Mass 555.119
No. of atoms 61
No. of bonds 65
Polar Surface Area 164.36
LOGP Value 2.36      (Computed with XLOGP3)
3.69      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 10
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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