› 6msl

X-ray diffraction
3.1Å resolution

Integrin AlphaVBeta3 ectodomain bound to EETI-II 2.5D

Released:
DOI: 10.2210/pdb6msl/pdb
PDB entry 6msl coloured by chain, front view.
PDB entry 6msl coloured by chain, side view.
PDB entry 6msl coloured by chain, top view.
Source organisms:
Primary publication:
Structural Basis of the Differential Binding of Engineered Knottins to Integrins αVβ3 and α5β1.
Van Agthoven JF, Shams H, Cochran FV, Alonso JL, Kintzing JR, Garakani K, Adair BD, Xiong JP, Mofrad MRK, Cochran JR, Arnaout MA
Structure 27 1443-1451.e6 (2019)
PMID: 31353240

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138435 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (7 distinct):
Integrin alpha-V Chain: A
Molecule details ›
Chain: A
Length: 967 amino acids
Theoretical weight: 106.97 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P06756 (Residues: 31-997; Coverage: 95%)
Gene names: ITGAV, MSK8, VNRA, VTNR
Sequence domains:
Integrin beta-3 Chain: B
Molecule details ›
Chain: B
Length: 695 amino acids
Theoretical weight: 76.85 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P05106 (Residues: 27-721; Coverage: 91%)
Gene names: GP3A, ITGB3
Sequence domains:
Trypsin inhibitor 2 Chain: C
Molecule details ›
Chain: C
Length: 32 amino acids
Theoretical weight: 3.24 KDa
Source organism: Ecballium elaterium
Expression system: Not provided
UniProt:
  • Canonical: P12071 (Residues: 9-28; Coverage: 67%)
Sequence domains: Squash family serine protease inhibitor

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
Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
2 bound ligands:
Ligand NAG 4 x NAG
Ligand MN 8 x MN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P3221
Unit cell:
a: 129.764Å b: 129.764Å c: 305.896Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.224 0.222 0.266
Expression systems:
  • Spodoptera frugiperda
  • Not provided

Quick links

Citations

1 review citation

Structural analysis of peptide binding to integrins for cancer detection and treatment.
Urquiza et al. (2023)
6 other articles

2 mentions without citation

Structural Basis of the Differential Binding of Engineered Knottins to Integrins αVβ3 and α5β1.
Van Agthoven et al. (2019)
1 more