› 5di8

X-ray diffraction
1.9Å resolution

Fc Knob-Hole Heterodimer T366W + T366S/L368A/Y407V

Released:
DOI: 10.2210/pdb5di8/pdb
PDB 5di8 coloured by chain and viewed from the front.
PDB 5di8 coloured by chain and viewed from the side.
PDB 5di8 coloured by chain and viewed from the top.
Source organisms:
Primary publication:
Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Leaver-Fay A, Froning KJ, Atwell S, Aldaz H, Pustilnik A, Lu F, Huang F, Yuan R, Hassanali S, Chamberlain AK, Fitchett JR, Demarest SJ, Kuhlman B
Structure (2016)
PMID: 26996964

Function and Biology Details

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

Structure analysis Details

Assembly composition:
Non-polymer only trimer (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (4 distinct):
Immunoglobulin heavy constant gamma 1 Chain: A
Molecule details ›
Chain: A
Length: 227 amino acids
Theoretical weight: 25.7 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P01857 (Residues: 104-330; Coverage: 69%)
Gene name: IGHG1
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins
Immunoglobulin heavy constant gamma 1 Chain: B
Molecule details ›
Chain: B
Length: 240 amino acids
Theoretical weight: 26.86 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P01857 (Residues: 104-330; Coverage: 69%)
Gene name: IGHG1
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins
Fc-III peptide Chain: C
Molecule details ›
Chain: C
Length: 13 amino acids
Theoretical weight: 1.53 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN, GAL, FUC
Ligand NAG 6 x NAG
Ligand BMA 2 x BMA
Ligand MAN 4 x MAN
Ligand GAL 2 x GAL
Ligand FUC 2 x FUC
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P21
Unit cell:
a: 60.297Å b: 66.835Å c: 79.214Å
α: 90° β: 104.97° γ: 90°
R-values:
R R work R free
0.227 0.224 0.275
Expression systems:
  • Homo sapiens
  • Not provided

Quick links

Citations

7 review citations

Bispecific T-Cell Redirection versus Chimeric Antigen Receptor (CAR)-T Cells as Approaches to Kill Cancer Cells.
Strohl et al. (2019)
6 more