› 5t78

X-ray diffraction
2.2Å resolution

Crystal structure of therapeutic mAB AR20.5 in complex with MUC1 peptide

Released:
DOI: 10.2210/pdb5t78/pdb
PDB entry 5t78 coloured by chain, front view.
PDB entry 5t78 coloured by chain, side view.
PDB entry 5t78 coloured by chain, top view.
Source organisms:
Primary publication:
Glycosylation of MUC1 influences the binding of a therapeutic antibody by altering the conformational equilibrium of the antigen.
Movahedin M, Brooks TM, Supekar NT, Gokanapudi N, Boons GJ, Brooks CL
Glycobiology 27 677-687 (2017)
PMID: 28025250

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-230875 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Fab fragment AR20.5 - Light Chain Chains: A, C
Molecule details ›
Chains: A, C
Length: 216 amino acids
Theoretical weight: 23.94 KDa
Source organism: Mus musculus
Expression system: Mus musculus
Structure domains: Immunoglobulins
Fab Fragment - AR20.5 - Heavy chain Chains: B, D
Molecule details ›
Chains: B, D
Length: 215 amino acids
Theoretical weight: 23.13 KDa
Source organism: Mus musculus
Expression system: Mus musculus
Structure domains: Immunoglobulins
Mucin-1 subunit alpha Chains: E, F
Molecule details ›
Chains: E, F
Length: 8 amino acids
Theoretical weight: 825 Da
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P15941 (Residues: 921-928; Coverage: 1%)
Gene names: MUC1, PUM

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: C2221
Unit cell:
a: 97.25Å b: 100.46Å c: 235.32Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.194 0.22
Expression systems:
  • Mus musculus
  • Not provided

Quick links

Citations

12 review citations

Glycan-directed CAR-T cells.
Steentoft et al. (2018)
11 more

6 mentions without citation

Epitopes of MUC1 Tandem Repeats in Cancer as Revealed by Antibody Crystallography: Toward Glycopeptide Signature-Guided Therapy.
Zhou et al. (2018)
5 more