› 4ioi

X-ray diffraction
1.95Å resolution

Meditope-enabled trastuzumab in complex with CQFDLSTRRLKC

Released:
DOI: 10.2210/pdb4ioi/pdb
PDB entry 4ioi coloured by chain, front view.
PDB entry 4ioi coloured by chain, side view.
PDB entry 4ioi coloured by chain, top view.
Source organisms:
Primary publication:
Identification and grafting of a unique peptide-binding site in the Fab framework of monoclonal antibodies.
Donaldson JM, Zer C, Avery KN, Bzymek KP, Horne DA, Williams JC
Proc Natl Acad Sci U S A 110 17456-61 (2013)
PMID: 24101516

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero pentamer (preferred)
PDBe Complex ID:
PDB-CPX-209429 (preferred)
Entry contents:
5 distinct polypeptide molecules
Macromolecules (5 distinct):
Trastuzumab light chain Chain: A
Molecule details ›
Chain: A
Length: 214 amino acids
Theoretical weight: 23.5 KDa
Source organism: Homo sapiens
Expression system: Mus musculus
Structure domains: Immunoglobulins
Trastuzumab heavy chain Chain: B
Molecule details ›
Chain: B
Length: 223 amino acids
Theoretical weight: 23.77 KDa
Source organism: Homo sapiens
Expression system: Mus musculus
Structure domains: Immunoglobulins
Immunoglobulin G-binding protein A Chain: H
Molecule details ›
Chain: H
Length: 55 amino acids
Theoretical weight: 6.12 KDa
Source organism: Staphylococcus aureus subsp. aureus Mu50
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A015 (Residues: 101-151; Coverage: 12%)
Gene names: SAV0111, spa
Sequence domains: B domain
Structure domains: Immunoglobulin FC, subunit C
Gram-positive cocci surface proteins LPxTG domain-containing protein Chain: E
Molecule details ›
Chain: E
Length: 65 amino acids
Theoretical weight: 6.99 KDa
Source organism: Finegoldia magna
Expression system: Escherichia coli
UniProt:
  • Canonical: Q51918 (Residues: 476-537; Coverage: 6%)
Sequence domains: Protein L b1 domain
Structure domains: Ubiquitin-like (UB roll)
meditope Chain: C
Molecule details ›
Chain: C
Length: 12 amino acids
Theoretical weight: 1.47 KDa

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 53.31Å b: 105.11Å c: 117.62Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.176 0.204
Expression systems:
  • Mus musculus
  • Escherichia coli

Quick links

Citations

3 review citations

Site-specific antibody-drug conjugates: the nexus of bioorthogonal chemistry, protein engineering, and drug development.
Agarwal et al. (2015)
2 more

5 mentions without citation

Identification and grafting of a unique peptide-binding site in the Fab framework of monoclonal antibodies.
Donaldson et al. (2013)
4 more