› 7u9f

X-ray diffraction
2.7Å resolution

Integrin alpha IIB beta3 complex with BMS compound 4 in Mn2+

Released:
DOI: 10.2210/pdb7u9f/pdb
PDB entry 7u9f coloured by chain, front view.
PDB entry 7u9f coloured by chain, side view.
PDB entry 7u9f coloured by chain, top view.
Source organisms:
Primary publication:
A general chemical principle for creating closure-stabilizing integrin inhibitors.
Lin FY, Li J, Xie Y, Zhu J, Huong Nguyen TT, Zhang Y, Zhu J, Springer TA
Cell 185 3533-3550.e27 (2022)
PMID: 36113427

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-529082 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (7 distinct):
Integrin alpha-IIb heavy chain Chains: A, C
Molecule details ›
Chains: A, C
Length: 454 amino acids
Theoretical weight: 49.23 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
Integrin beta-3 Chains: B, D
Molecule details ›
Chains: B, D
Length: 471 amino acids
Theoretical weight: 51.96 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
Fab heavy chain Chains: E, H
Molecule details ›
Chains: E, H
Length: 216 amino acids
Theoretical weight: 23.34 KDa
Source organism: Mus musculus
Fab light chain Chains: F, L
Molecule details ›
Chains: F, L
Length: 214 amino acids
Theoretical weight: 23.33 KDa
Source organism: Mus musculus

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
6 bound ligands:
Ligand SO4 9 x SO4
Ligand CA 8 x CA
Ligand MN 6 x MN
Ligand NAG 2 x NAG
Ligand I7R 2 x I7R
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P21212
Unit cell:
a: 259.397Å b: 144.292Å c: 104.923Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.217 0.237
Expression system: Cricetulus griseus

Quick links

Citations

8 review citations

Targeting integrin pathways: mechanisms and advances in therapy.
Pang et al. (2023)
7 more