› 3be1

X-ray diffraction
2.9Å resolution

Dual specific bH1 Fab in complex with the extracellular domain of HER2/ErbB-2

Released:
DOI: 10.2210/pdb3be1/pdb
PDB entry 3be1 coloured by chain, front view.
PDB entry 3be1 coloured by chain, side view.
PDB entry 3be1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Variants of the antibody herceptin that interact with HER2 and VEGF at the antigen binding site.
Bostrom J, Yu SF, Kan D, Appleton BA, Lee CV, Billeci K, Man W, Peale F, Ross S, Wiesmann C, Fuh G
Science 323 1610-4 (2009)
PMID: 19299620

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
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-209114 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Receptor tyrosine-protein kinase erbB-2 Chain: A
Molecule details ›
Chain: A
Length: 624 amino acids
Theoretical weight: 68.79 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P04626 (Residues: 23-646; Coverage: 51%)
Gene names: ERBB2, HER2, MLN19, NEU, NGL
Sequence domains:
Structure domains:
Fab Fragment-Heavy Chain Chain: H
Molecule details ›
Chain: H
Length: 230 amino acids
Theoretical weight: 24.56 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
Structure domains: Immunoglobulins
Fab Fragment-Light Chain Chain: L
Molecule details ›
Chain: L
Length: 218 amino acids
Theoretical weight: 23.96 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
Structure domains: Immunoglobulins

Ligands and Environments

2 bound ligands:
Ligand NAG 2 x NAG
Ligand MES 1 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P212121
Unit cell:
a: 62.324Å b: 115.056Å c: 208.171Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.222 0.236 0.277
Expression systems:
  • Cricetulus griseus
  • Escherichia coli

Quick links

Citations

59 review citations

Therapeutic antibodies for autoimmunity and inflammation.
Chan et al. (2010)
58 more

14 mentions without citation

Progress in overcoming the chain association issue in bispecific heterodimeric IgG antibodies.
Klein et al. (2012)
13 more