› 7f7i

X-ray diffraction
2.6Å resolution

Stapled Peptide Inhibitor in complex with PSD95 GK domain

Released:
DOI: 10.2210/pdb7f7i/pdb
Model geometry
Fit model/data
PDB entry 7f7i coloured by chain, front view.
PDB entry 7f7i coloured by chain, side view.
PDB entry 7f7i coloured by chain, top view.
Source organisms:
Primary publication:
Entropy of stapled peptide inhibitors in free state is the major contributor to the improvement of binding affinity with the GK domain.
Unarta IC, Xu J, Shang Y, Cheung CHP, Zhu R, Chen X, Cao S, Cheung PP, Bierer D, Zhang M, Huang X, Li X
OpenAccess logo RSC Chem Biol 2 1274-1284 (2021)
PMID: 34458841

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151886 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Disks large homolog 4 Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 205 amino acids
Theoretical weight: 23.61 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P31016 (Residues: 531-713; Coverage: 25%)
Gene names: Dlg4, Dlgh4, Psd95
Sequence domains: Guanylate kinase
ACE-ARG-ILE-ARG-ARG-ASP-GLU-TYR-LEU-LYZ-ALA-ILE-GLN-NH2 Chains: G, H, I, J, K, L
Molecule details ›
Chains: G, H, I, J, K, L
Length: 14 amino acids
Theoretical weight: 1.6 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
1 modified residue:
Ligand LYZ 6 x LYZ

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P1
Unit cell:
a: 51.029Å b: 51.954Å c: 144.5Å
α: 91.78° β: 91.43° γ: 120.97°
R-values:
R R work R free
0.217 0.214 0.262
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

4 citation in other articles

Application of per-Residue Energy Decomposition to Design Peptide Inhibitors of PSD95 GK Domain.
Tian et al. (2022)
3 more

1 mention without citation

Entropy of stapled peptide inhibitors in free state is the major contributor to the improvement of binding affinity with the GK domain.
Unarta et al. (2021)