› 6dn7

X-ray diffraction
1.4Å resolution

SPRY domain-containing SOCS box protein 2 complexed with WDINNN(BAL) Cyclic peptide inhibitor

Released:
DOI: 10.2210/pdb6dn7/pdb
Model geometry
Fit model/data
PDB entry 6dn7 coloured by chain, front view.
PDB entry 6dn7 coloured by chain, side view.
PDB entry 6dn7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent.
Sadek MM, Barlow N, Leung EWW, Williams-Noonan BJ, Yap BK, Shariff FM, Caradoc-Davies TT, Nicholson SE, Chalmers DK, Thompson PE, Law RHP, Norton RS
ACS Chem Biol 13 2930-2938 (2018)
PMID: 30226743

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-166611 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
SPRY domain-containing SOCS box protein 4 Chains: A, C
Molecule details ›
Chains: A, C
Length: 229 amino acids
Theoretical weight: 25.23 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q96A44 (Residues: 28-233; Coverage: 76%)
Gene names: SPSB4, SSB4
Sequence domains: SPRY domain
WDINNN(BAL) Cyclic peptide inhibitor Chains: B, D
Molecule details ›
Chains: B, D
Length: 7 amino acids
Theoretical weight: 846 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 54.69Å b: 65.44Å c: 69.18Å
α: 90° β: 103.6° γ: 90°
R-values:
R R work R free
0.198 0.197 0.213
Expression systems:
  • Escherichia coli K-12
  • Not provided

Quick links

Citations

2 review citations

E3 Ligase Ligands for PROTACs: How They Were Found and How to Discover New Ones.
Ishida et al. (2021)
1 more