Crystal structure of human il-2 complexed with (R)-N-[2-[1- (aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-L- phenylalanine methyl ester

Structure

x-ray diffraction · 2 distinct chains · 65% helix, 3% strand (DSSP).

Ligands and binding sites

• FRG · 2-[3-methyl-4-(N-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-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 · 705 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 1M48 · Crystal Structure of Human IL-2 Complexed with… · 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 A against A, TM-score 0.95

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 1M48 · PDBe 1M48 · UniProt P60568