› 7sjq

X-ray diffraction
2Å resolution

Ex silico engineering of cystine-dense peptides yielding a potent bispecific T-cell engager

Released:
DOI: 10.2210/pdb7sjq/pdb
Model geometry
Fit model/data
PDB entry 7sjq coloured by chain, front view.
PDB entry 7sjq coloured by chain, side view.
PDB entry 7sjq coloured by chain, top view.
Source organisms:
Primary publication:
Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Crook ZR, Girard EJ, Sevilla GP, Brusniak MY, Rupert PB, Friend DJ, Gewe MM, Clarke M, Lin I, Ruff R, Pakiam F, Phi TD, Bandaranayake A, Correnti CE, Mhyre AJ, Nairn NW, Strong RK, Olson JM
Sci Transl Med 14 eabn0402 (2022)
PMID: 35584229

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-168789 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Programmed cell death 1 ligand 1 Chain: A
Molecule details ›
Chain: A
Length: 119 amino acids
Theoretical weight: 13.54 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: Q9NZQ7 (Residues: 18-134; Coverage: 43%)
Gene names: B7H1, CD274, PDCD1L1, PDCD1LG1, PDL1
Sequence domains: Immunoglobulin V-set domain
Cystine-dense peptide Chain: D
Molecule details ›
Chain: D
Length: 51 amino acids
Theoretical weight: 5.67 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

4 bound ligands:
Ligand GOL 1 x GOL
Ligand NAG 1 x NAG
Ligand SO4 1 x SO4
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU
Spacegroup: C2221
Unit cell:
a: 56.04Å b: 65.33Å c: 99.912Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.191 0.232
Expression systems:
  • Homo sapiens
  • Not provided

Quick links

Citations

1 review citation

New approaches for challenging therapeutic targets.
Sharma et al. (2024)
2 other articles

1 mention without citation

Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Crook et al. (2022)

PDB-REDO

The sliders below show the change in model quality between original PDB entry and the PDB-REDO entry

Model Geometry
 
 
Data not available
DNA/RNA Geometry
 
 
Data not available
Fit model/data
 
 
Data not available
PDB-REDO