› 3kdm

X-ray diffraction
1.5Å resolution

Crystal Structure of Human Anti-steroid Fab 5F2 in Complex with Testosterone

Released:
DOI: 10.2210/pdb3kdm/pdb
PDB entry 3kdm coloured by chain, front view.
PDB entry 3kdm coloured by chain, side view.
PDB entry 3kdm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The testosterone binding mechanism of an antibody derived from a naïve human scFv library.
Niemi MH, Takkinen K, Amundsen LK, Söderlund H, Rouvinen J, Höyhtyä M
J Mol Recognit 24 209-19
PMID: 21360611

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-234868 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Immunoglobulin light chain Chains: A, L
Molecule details ›
Chains: A, L
Length: 218 amino acids
Theoretical weight: 23.37 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
Structure domains: Immunoglobulins
Immunoglobulin heavy chain Chains: B, H
Molecule details ›
Chains: B, H
Length: 225 amino acids
Theoretical weight: 23.73 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
Structure domains: Immunoglobulins

Ligands and Environments

1 bound ligand:
Ligand TES 2 x TES
1 modified residue:
Ligand PCA 2 x PCA

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P1
Unit cell:
a: 66.75Å b: 67.08Å c: 67.06Å
α: 81.32° β: 69.3° γ: 69.27°
R-values:
R R work R free
0.181 0.18 0.208
Expression system: Escherichia coli

Quick links

Citations

1 review citation

In situ click chemistry: from small molecule discovery to synthetic antibodies.
Millward et al. (2013)
3 other articles

12 mentions without citation

Blind prediction performance of RosettaAntibody 3.0: grafting, relaxation, kinematic loop modeling, and full CDR optimization.
Weitzner et al. (2014)
11 more