› 9axn

X-ray diffraction
2.4Å resolution

Crystal Structure of Anti-Fentanyl Antibody HY11-6B2_Mu Fab in Complex with Fentanyl

Released:
DOI: 10.2210/pdb9axn/pdb
Model geometry
Fit model/data
PDB entry 9axn coloured by chain, front view.
PDB entry 9axn coloured by chain, side view.
PDB entry 9axn coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Structure-Based Engineering of Monoclonal Antibodies for Improved Binding to Counteract the Effects of Fentanyl and Carfentanil.
Rodarte J, Baehr C, Hicks D, McGovern M, Zhang Y, Silva-Ortiz P, Hannon B, Duddu S, Pancera M, Pravetoni M
ACS Omega 9 42506-42519 (2024)
PMID: 39431098

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-252118 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
HY11-6B2_Mu Fab Heavy Chain Chains: A, C, E, H, I, M, O, Q
Molecule details ›
Chains: A, C, E, H, I, M, O, Q
Length: 228 amino acids
Theoretical weight: 24.51 KDa
Source organism: Mus musculus
Expression system: Homo sapiens
HY11-6B2_Mu Fab Light Chain Chains: B, D, F, J, L, N, P, R
Molecule details ›
Chains: B, D, F, J, L, N, P, R
Length: 214 amino acids
Theoretical weight: 23.5 KDa
Source organism: Mus musculus
Expression system: Homo sapiens

Ligands and Environments

4 bound ligands:
Ligand 7V7 8 x 7V7
Ligand SO4 23 x SO4
Ligand EDO 12 x EDO
Ligand NI 2 x NI
1 modified residue:
Ligand PCA 8 x PCA

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P1
Unit cell:
a: 69.777Å b: 98.238Å c: 159.724Å
α: 77.73° β: 85.32° γ: 77.95°
R-values:
R R work R free
0.226 0.224 0.263
Expression system: Homo sapiens

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