› 3fo0

X-ray diffraction
2.5Å resolution

Crystal structure of hapten complex of catalytic elimination antibody 13G5 (wild-type)

Released:
DOI: 10.2210/pdb3fo0/pdb
PDB entry 3fo0 coloured by chain, front view.
PDB entry 3fo0 coloured by chain, side view.
PDB entry 3fo0 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 dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-213252 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Catalytic antibody Fab 13G5 kappa light chain chimera Chain: L
Molecule details ›
Chain: 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 Chain: H
Molecule details ›
Chain: H
Length: 229 amino acids
Theoretical weight: 24.3 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
Structure domains: Immunoglobulins

Ligands and Environments

2 bound ligands:
Ligand BZH 1 x BZH
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P21212
Unit cell:
a: 84.071Å b: 87.001Å c: 59.419Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.222 0.219 0.277
Expression system: Escherichia coli

Quick links

Citations

5 review citations

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

4 mentions without citation

AbDesign: An algorithm for combinatorial backbone design guided by natural conformations and sequences.
Lapidoth et al. (2015)
3 more