› 1xdg

X-ray diffraction
2.1Å resolution

X-ray structure of LFA-1 I-domain in complex with LFA878 at 2.1A resolution

Released:
DOI: 10.2210/pdb1xdg/pdb
PDB entry 1xdg coloured by chain, front view.
PDB entry 1xdg coloured by chain, side view.
PDB entry 1xdg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Improved lymphocyte function-associated antigen-1 (LFA-1) inhibition by statin derivatives: molecular basis determined by x-ray analysis and monitoring of LFA-1 conformational changes in vitro and ex vivo.
Weitz-Schmidt G, Welzenbach K, Dawson J, Kallen J
J Biol Chem 279 46764-71 (2004)
PMID: 15304496

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
Molecule details ›
Chains: A, B
Length: 188 amino acids
Theoretical weight: 21.43 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P20701 (Residues: 152-336; 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

2 bound ligands:
Ligand MG 2 x MG
Ligand AB8 2 x AB8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM1A
Spacegroup: P212121
Unit cell:
a: 71.9Å b: 77.4Å c: 92.3Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.191 0.213
Expression system: Escherichia coli

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Citations

14 review citations

Evolving functions of endothelial cells in inflammation.
Pober et al. (2007)
13 more

3 mentions without citation

Updates to Binding MOAD (Mother of All Databases): Polypharmacology Tools and Their Utility in Drug Repurposing.
Smith et al. (2019)
2 more