› 3fo1

X-ray diffraction
2.2Å resolution

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

Released:
DOI: 10.2210/pdb3fo1/pdb
PDB entry 3fo1 coloured by chain, front view.
PDB entry 3fo1 coloured by chain, side view.
PDB entry 3fo1 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-213253 (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: 23.94 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

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P21
Unit cell:
a: 59.602Å b: 87.021Å c: 84.401Å
α: 90° β: 91.34° γ: 90°
R-values:
R R work R free
0.228 0.225 0.281
Expression system: Escherichia coli

Quick links

Citations

5 review citations

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

2 mentions without citation

Challenges and advances in validating enzyme design proposals: the case of kemp eliminase catalysis.
Frushicheva et al. (2011)
1 more