› 1nc2

X-ray diffraction
2.1Å resolution

Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Y-DOTA

Released:
DOI: 10.2210/pdb1nc2/pdb
PDB entry 1nc2 coloured by chain, front view.
PDB entry 1nc2 coloured by chain, side view.
PDB entry 1nc2 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Crystal structures of two complexes of the rare-earth-DOTA-binding antibody 2D12.5: ligand generality from a chiral system.
Corneillie TM, Fisher AJ, Meares CF
J Am Chem Soc 125 15039-48 (2003)
PMID: 14653738

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-226987 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
MONOCLONAL ANTIBODY 2D12.5, LAMBDA LIGHT CHAIN Chains: A, C
Molecule details ›
Chains: A, C
Length: 215 amino acids
Theoretical weight: 23.15 KDa
Source organism: Mus musculus
Structure domains: Immunoglobulins
MONOCLONAL ANTIBODY 2D12.5, IGG1 GAMMA HEAVY CHAIN Chain: B
Molecule details ›
Chain: B
Length: 221 amino acids
Theoretical weight: 23.76 KDa
Source organism: Mus musculus
Structure domains: Immunoglobulins
MONOCLONAL ANTIBODY 2D12.5, IGG1 GAMMA HEAVY CHAIN Chain: D
Molecule details ›
Chain: D
Length: 221 amino acids
Theoretical weight: 23.78 KDa
Source organism: Mus musculus
Structure domains: Immunoglobulins

Ligands and Environments

4 bound ligands:
Ligand CL 2 x CL
Ligand YT3 2 x YT3
Ligand DOE 2 x DOE
Ligand NAG 1 x NAG
1 modified residue:
Ligand PCA 1 x PCA

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P212121
Unit cell:
a: 67.335Å b: 81.3Å c: 160.923Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.228 0.209 0.247

Quick links

Citations

3 review citations

Coordinating radiometals of copper, gallium, indium, yttrium, and zirconium for PET and SPECT imaging of disease.
Wadas et al. (2010)
2 more

4 mentions without citation

Engineering an antibody with picomolar affinity to DOTA chelates of multiple radionuclides for pretargeted radioimmunotherapy and imaging.
Orcutt et al. (2011)
3 more