› 3fo2

X-ray diffraction
2.18Å resolution

Crystal structure of hapten complex of catalytic elimination antibody 13G5 (Glu(L39)Gln mutant)

Released:
DOI: 10.2210/pdb3fo2/pdb
Model geometry
Fit model/data
PDB entry 3fo2 coloured by chain, front view.
PDB entry 3fo2 coloured by chain, side view.
PDB entry 3fo2 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
An aspartate and a water molecule mediate efficient acid-base catalysis in a tailored antibody pocket.
Debler EW, Müller R, Hilvert D, Wilson IA
Proc Natl Acad Sci U S A 106 18539-44 (2009)
PMID: 19846764

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-213254 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Catalytic antibody Fab 13G5 kappa light chain chimera Chains: A, L
Molecule details ›
Chains: A, L
Length: 219 amino acids
Theoretical weight: 24 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
Structure domains: Immunoglobulins
Catalytic antibody Fab 13G5 IgG2b heavy chain chimera Chains: B, H
Molecule details ›
Chains: B, H
Length: 229 amino acids
Theoretical weight: 24.3 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
Structure domains: Immunoglobulins

Ligands and Environments

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

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P212121
Unit cell:
a: 83.116Å b: 86.22Å c: 113.643Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.201 0.256
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Computational enzyme design.
Kiss et al. (2013)
4 more

4 mentions without citation

Aromatic interactions at the ligand-protein interface: Implications for the development of docking scoring functions.
Brylinski M. (2018)
3 more