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Complex structure of human IL2 mutant, proleukin, with Fab fragment of NARA1 antibody

Analyse Complex structure of human IL2 mutant, proleukin, with Fab fragment of NARA1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5LQB
Type
protein
Length
564 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Interleukin-2; Anti-HIL2 Fab fragment heavy chain; Anti-HIL2 Fab fragment light chain
UniProt
P60568
Pockets
6 · best druggability 0.55

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInterleukin-2protein12863% helix, 3% strandP60568
HAnti-HIL2 Fab fragment heavy chainprotein2197% helix, 53% strand—
LAnti-HIL2 Fab fragment light chainprotein2176% helix, 56% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13480.550.7451empty
21540.480.7826empty
31310.440.7622empty
41470.430.7522empty
5620.420.8222empty

Interfaces

3 interfaces between chains.

  • H–L · 1903 Ų buried · 16 hydrogen bonds · protein-protein
  • A–H · 617 Ų buried · 8 hydrogen bonds · protein-protein
  • A–L · 434 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 5LQB · Complex structure of human IL2 mutant, Proleukin, with Fab fragment of NARA1 antibody · 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 0.91

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