› 2b2x

X-ray diffraction
2.2Å resolution

VLA1 RdeltaH I-domain complexed with a quadruple mutant of the AQC2 Fab

Released:
DOI: 10.2210/pdb2b2x/pdb
PDB entry 2b2x coloured by chain, front view.
PDB entry 2b2x coloured by chain, side view.
PDB entry 2b2x coloured by chain, top view.
Source organisms:
Primary publication:
Affinity enhancement of an in vivo matured therapeutic antibody using structure-based computational design.
Clark LA, Boriack-Sjodin PA, Eldredge J, Fitch C, Friedman B, Hanf KJ, Jarpe M, Liparoto SF, Li Y, Lugovskoy A, Miller S, Rushe M, Sherman W, Simon K, Van Vlijmen H
Protein Sci 15 949-60 (2006)
PMID: 16597831

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-210744 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Integrin alpha-1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 223 amino acids
Theoretical weight: 24.99 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
UniProt:
  • Canonical: P18614 (Residues: 151-364; Coverage: 19%)
Gene name: Itga1
Sequence domains: von Willebrand factor type A domain
Structure domains: von Willebrand factor, type A domain
Antibody AQC2 Fab Chains: H, I
Molecule details ›
Chains: H, I
Length: 226 amino acids
Theoretical weight: 24.22 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
Structure domains: Immunoglobulins
Antibody AQC2 Fab Chains: L, M
Molecule details ›
Chains: L, M
Length: 213 amino acids
Theoretical weight: 23.59 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
Structure domains: Immunoglobulins

Ligands and Environments

1 bound ligand:
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P2
Unit cell:
a: 106.12Å b: 43.68Å c: 153.88Å
α: 90° β: 104.1° γ: 90°
R-values:
R R work R free
0.241 0.238 0.272
Expression system: Escherichia coli

Quick links

Citations

18 review citations

Computer-aided antibody design.
Kuroda et al. (2012)
17 more

10 mentions without citation

Modeling and docking of antibody structures with Rosetta.
Weitzner et al. (2017)
9 more