Browse entries in the PDBbind-CN Database

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Related entries of code: 6ghj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4d2dRCSB PDB    PDBbind491aa, >4D2D_1|Chain... *
5oxkRCSB PDB    PDBbind490aa, >5OXK_1|Chain... at 99%
5oxlRCSB PDB    PDBbind490aa, >5OXL_1|Chain... at 99%
5oxmRCSB PDB    PDBbind490aa, >5OXM_1|Chain... at 99%
5oxnRCSB PDB    PDBbind490aa, >5OXN_1|Chain... 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 ID6ghj
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePepTSt
Ligand Name3mer
EC.Number E.C.-.-.-.-
Resolution 2.26(Å)
Affinity (Kd/Ki/IC50)Kd=6.89mM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) FEBS Lett. Vol. 592: pp. 3239-3247
Ligand Properties
Formula C17H25N4O5
Molecular Weight 365.404
Exact Mass 365.182
No. of atoms 51
No. of bonds 51
Polar Surface Area 166.23
LOGP Value -2.19      (Computed with XLOGP3)
-0.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 1
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): Q5M4H8  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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