Browse entries in the PDBbind-CN Database

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Related entries of code: 4jwk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4jx9RCSB PDB    PDBbind193aa, >4JX9_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4pdaRCSB PDB    PDBbindCTN
5csoRCSB PDB    PDBbindCTN
Entry Information
PDB ID4jwk
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePeptidyl-tRNA hydrolase
Ligand NameCTN
EC.Number E.C.3.1.1.29
Resolution 1.87(Å)
Affinity (Kd/Ki/IC50)Kd=4.79nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Plos One Vol. 8: pp. e67547-e67547
Ligand Properties
Formula C9H14N3O5
Molecular Weight 244.225
Exact Mass 244.093
No. of atoms 31
No. of bonds 32
Polar Surface Area 132.08
LOGP Value -1.12      (Computed with XLOGP3)
-2.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 2
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): D0C9L6  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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