Browse entries in the PDBbind-CN Database

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Related entries of code: 5mkr
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... *
5ar0RCSB PDB    PDBbind394aa, >5AR0_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
5mksRCSB PDB    PDBbindTI8
Entry Information
PDB ID5mkr
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHeat shock 70 kDa protein 1A
Ligand NameTI8
EC.Number E.C.-.-.-.-
Resolution 1.87(Å)
Affinity (Kd/Ki/IC50)Ki=17uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Angew. Chem. Int. Ed. Engl. Vol. 56: pp. 3536-3540
Ligand Properties
Formula C22H25ClN6O5
Molecular Weight 488.924
Exact Mass 488.157
No. of atoms 59
No. of bonds 62
Polar Surface Area 157.64
LOGP Value 1.86      (Computed with XLOGP3)
2.46      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
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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