› 6dn6

X-ray diffraction
1.59Å resolution

SPRY domain-containing SOCS box protein 2 complexed with INNN(ABU) cyclic peptide inhibitor

Released:
DOI: 10.2210/pdb6dn6/pdb
PDB entry 6dn6 coloured by chain, front view.
PDB entry 6dn6 coloured by chain, side view.
PDB entry 6dn6 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-166610 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
SPRY domain-containing SOCS box protein 2 Chain: A
Molecule details ›
Chain: A
Length: 217 amino acids
Theoretical weight: 23.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q99619 (Residues: 26-219; Coverage: 74%)
Gene names: GRCC9, SPSB2, SSB2
Sequence domains: SPRY domain
INNN(ABU) cyclic peptide inhibitor Chain: B
Molecule details ›
Chain: B
Length: 5 amino acids
Theoretical weight: 559 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P212121
Unit cell:
a: 41.04Å b: 61.95Å c: 84.93Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.174 0.202
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