› 7td8

X-ray diffraction
2.6Å resolution

Integrin alpha IIB beta3 complex with Tirofiban

Released:
DOI: 10.2210/pdb7td8/pdb
PDB entry 7td8 coloured by chain, front view.
PDB entry 7td8 coloured by chain, side view.
PDB entry 7td8 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:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-233199 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (7 distinct):
Integrin alpha-IIb heavy chain Chains: A, C
Molecule details ›
Chains: A, C
Length: 453 amino acids
Theoretical weight: 49.13 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P08514 (Residues: 32-484; Coverage: 45%)
Gene names: GP2B, ITGA2B, ITGAB
Sequence domains: FG-GAP repeat
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
UniProt:
  • Canonical: P05106 (Residues: 27-497; Coverage: 62%)
Gene names: GP3A, ITGB3
Sequence domains:
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
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
5 bound ligands:
Ligand CA 12 x CA
Ligand NAG 3 x NAG
Ligand SO4 8 x SO4
Ligand MG 2 x MG
Ligand AGG 2 x AGG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P21212
Unit cell:
a: 256.56Å b: 144.37Å c: 104.29Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.182 0.21
Expression system: Cricetulus griseus

Quick links

Citations

8 review citations

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