› 1rd4

X-ray diffraction
2.4Å resolution

An allosteric inhibitor of LFA-1 bound to its I-domain

Released:
DOI: 10.2210/pdb1rd4/pdb
PDB entry 1rd4 coloured by chain, front view.
PDB entry 1rd4 coloured by chain, side view.
PDB entry 1rd4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure of an allosteric inhibitor of LFA-1 bound to the I-domain studied by crystallography, NMR, and calorimetry.
Crump MP, Ceska TA, Spyracopoulos L, Henry A, Archibald SC, Alexander R, Taylor RJ, Findlow SC, O'Connell J, Robinson MK, Shock A
Biochemistry 43 2394-404 (2004)
PMID: 14992576

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149031 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Integrin alpha-L Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 191 amino acids
Theoretical weight: 21.67 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P20701 (Residues: 150-336; Coverage: 16%)
Gene names: CD11A, ITGAL
Sequence domains: von Willebrand factor type A domain
Structure domains: von Willebrand factor, type A domain

Ligands and Environments

1 bound ligand:
Ligand L08 4 x L08
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P1
Unit cell:
a: 45.96Å b: 64.41Å c: 66.21Å
α: 74.21° β: 90° γ: 87.26°
R-values:
R R work R free
0.245 0.236 0.29
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Integrins as therapeutic targets: lessons and opportunities.
Cox et al. (2010)
5 more

5 mentions without citation

Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules.
Bakan et al. (2012)
4 more