Browse entries in the PDBbind-CN Database

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Related entries of code: 4r5g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4e81RCSB PDB    PDBbind219aa, >4E81_1|Chains... at 96%
4ezqRCSB PDB    PDBbind219aa, >4EZQ_1|Chain... at 96%
4ezrRCSB PDB    PDBbind219aa, >4EZR_1|Chain... at 96%
4eztRCSB PDB    PDBbind219aa, >4EZT_1|Chain... at 96%
4ezwRCSB PDB    PDBbind219aa, >4EZW_1|Chains... at 96%
4ezxRCSB PDB    PDBbind219aa, >4EZX_1|Chains... at 96%
4ezyRCSB PDB    PDBbind219aa, >4EZY_1|Chain... at 96%
4ezzRCSB PDB    PDBbind219aa, >4EZZ_1|Chain... at 96%
4jn4RCSB PDB    PDBbind608aa, >4JN4_1|Chains... *
4jneRCSB PDB    PDBbind608aa, >4JNE_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4r5g
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameChaperone protein DnaK
Ligand Name3JE
EC.Number E.C.-.-.-.-
Resolution 3.45(Å)
Affinity (Kd/Ki/IC50)Kd=6.0uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Acs Chem.Biol. Vol. 9: pp. 2508-2516
Ligand Properties
Formula C26H20P
Molecular Weight 363.411
Exact Mass 363.130
No. of atoms 47
No. of bonds 50
Polar Surface Area 13.59
LOGP Value 6.78      (Computed with XLOGP3)
4.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 0
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): P0A6Y8  
Entrez Gene IDNCBI Entrez Gene ID: 61752736  944750  
ASDInformation of known allosteric effects of PDB entries
 
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