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Nanobody bound to interleukin-2RBETA

Analyse Nanobody bound to interleukin-2RBETA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7S2S
Type
protein
Length
657 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
IL2RB-binding nanobody; Interleukin-2 receptor subunit beta
UniProt
P14784
Ligands
NAG, FUC, BMA, SO4
Pockets
3 · best druggability 0.40

Structure

x-ray diffraction · 4 distinct chains · 8% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CIL2RB-binding nanobodyprotein12715% helix, 43% strand—
BInterleukin-2 receptor subunit betaprotein1994% helix, 49% strandP14784
AIL2RB-binding nanobodyprotein12715% helix, 41% strand—
DInterleukin-2 receptor subunit betaprotein2043% helix, 48% strandP14784

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains B, D, A
  • FUC · alpha-L-fucopyranose · sugar · 4 copies · chains B, D
  • BMA · beta-D-mannopyranose · sugar · 2 copies · chains D
  • SO4 · Sulfate ion · ion · 13 copies · chains B, D, A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.400.7521empty
2590.280.7413empty
3510.270.7411empty

Interfaces

4 interfaces between chains.

  • A–D · 690 Ų buried · 10 hydrogen bonds · protein-protein
  • C–B · 667 Ų buried · 10 hydrogen bonds · protein-protein
  • B–D · 429 Ų buried · 6 hydrogen bonds · protein-protein
  • C–D · 89 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide, 6 glycan, 6 modified (disulfide, N-glycosylation, methylation).

Compared structures

  • 7S2S · nanobody bound to Interleukin-2Rbeta · the same entry in another collection · chain C against C, TM-score 1.00
  • P14784 · AlphaFold monomer V2.0 prediction for interleukin-2 receptor subunit beta (P14784) · a predicted model of the same protein · chain B against A, TM-score 0.97

Analyse

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