› 6nfn

X-ray diffraction
2.63Å resolution

Fab fragment of anti-cocaine antibody h2E2 bound to benzoylecgonine

Released:
DOI: 10.2210/pdb6nfn/pdb
PDB entry 6nfn coloured by chain, front view.
PDB entry 6nfn coloured by chain, side view.
PDB entry 6nfn coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Structural analysis of free and liganded forms of the Fab fragment of a high-affinity anti-cocaine antibody, h2E2.
Tan K, Zhou M, Ahrendt AJ, Duke NEC, Tabaja N, Ball WJ, Kirley TL, Norman AB, Joachimiak A, Schiffer M, Wilton R, Pokkuluri PR
Acta Crystallogr F Struct Biol Commun 75 697-706 (2019)
PMID: 31702583

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-232225 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Fab h2E2 light chain Chains: A, C, E, I, L, M, O, Q
Molecule details ›
Chains: A, C, E, I, L, M, O, Q
Length: 215 amino acids
Theoretical weight: 22.77 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
Fab h2E2 heavy chain Chains: B, D, F, H, J, N, P, R
Molecule details ›
Chains: B, D, F, H, J, N, P, R
Length: 222 amino acids
Theoretical weight: 23.72 KDa
Source organism: Mus musculus
Expression system: Escherichia coli

Ligands and Environments

5 bound ligands:
Ligand BCG 8 x BCG
Ligand PEG 1 x PEG
Ligand GOL 1 x GOL
Ligand ACT 9 x ACT
Ligand FMT 1 x FMT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P1
Unit cell:
a: 70.049Å b: 85.836Å c: 164.397Å
α: 82.929° β: 81.768° γ: 71.281°
R-values:
R R work R free
0.188 0.185 0.244
Expression system: Escherichia coli

Quick links

Citations

5 citation in other articles

Ligand binding to a humanized anti-cocaine mAb detected by non-reducing SDS-PAGE.
Kirley et al. (2020)
4 more

3 mentions without citation

Structural analysis of free and liganded forms of the Fab fragment of a high-affinity anti-cocaine antibody, h2E2.
Tan et al. (2019)
2 more