Crystal structure of human interleukin-2 complexed with sp-1985

Structure

x-ray diffraction · 2 distinct chains · 68% helix, 3% strand (DSSP).

Ligands and binding sites

• CMM · 2-[2-(1-carbamimidoyl-piperidin-3-yl)-acetylamino]-3-{4-[2-(3-oxalyl-1H-indol-7-yl)ethyl]-phenyl}-propionic acid methyl ester · ligand · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 661 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 1M49 · Crystal Structure of Human Interleukin-2 Complexed with SP-1985 · the same entry in another collection · chain A against A, TM-score 1.00
• P60568 · AlphaFold monomer V2.0 prediction for interleukin-2 (P60568) · a predicted model of the same protein · chain B against A, TM-score 0.97

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P60568
• Elsewhere: RCSB PDB 1M49 · PDBe 1M49 · UniProt P60568