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Structural basis of icam recognition by integrin ALPAHLBETA2 revealed in the complex structure of binding domains of icam-3 and ALPHALBETA2 at 1.65 a

Analyse Structural basis of icam recognition by integrin ALPAHLBETA2 revealed in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1T0P
Type
protein
Length
260 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Integrin alpha-L; Intercellular adhesion molecule-3
UniProt
P20701, P32942
Ligands
NAG, MG
Pockets
1 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIntegrin alpha-Lprotein17437% helix, 23% strandP20701
BIntercellular adhesion molecule-3protein860% helix, 64% strandP32942

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains B
  • MG · Magnesium ion · metal · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11070.410.7627empty

Interfaces

1 interface between chains.

  • A–B · 647 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 1T0P · Structural Basis of ICAM recognition by integrin alpahLbeta2 revealed in the complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • P32942 · AlphaFold monomer V2.0 prediction for intercellular adhesion molecule 3 (P32942) · a predicted model of the same protein · chain B against A, TM-score 0.95
  • P20701 · AlphaFold monomer V2.0 prediction for integrin alpha-L (P20701) · a predicted model of the same protein · chain A against A, TM-score 0.95

Analyse

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