› 5di8

X-ray diffraction
1.9Å resolution

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

Released:
DOI: 10.2210/pdb5di8/pdb
PDB entry 5di8 coloured by chain, front view.
PDB entry 5di8 coloured by chain, side view.
PDB entry 5di8 coloured by chain, top view.
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 24 641-651 (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:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-134816 (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: 104-328; Coverage: 56%)
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: 104-328; Coverage: 56%)
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
Carbohydrate polymer
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

10 review citations

The making of bispecific antibodies.
Brinkmann et al. (2017)
9 more

5 mentions without citation

Immunoglobulin Fc Heterodimer Platform Technology: From Design to Applications in Therapeutic Antibodies and Proteins.
Ha et al. (2016)
4 more