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MolNFT v1 · #122824 · protein

Structure of human TSLP:TSLPR in complex with mouse il-7RALPHA

5J12 · Thymic stromal lymphopoietin: “Structure of human TSLP:TSLPR in complex with mouse il-7RALPHA”. X-ray diffraction, 2 ligands (NAG, SO4), 5 pockets (best druggability 0.68). MolNFT v1 #122824 on GenesisL1: 3D structure, binding sites…

PDB
5J12
Type
protein
Length
510 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thymic stromal lymphopoietin; Interleukin-7 receptor subunit alpha; Cytokine…
UniProt
Q969D9, P16872, Q9HC73
Ligands
NAG, SO4
Pockets
5 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 18% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThymic stromal lymphopoietinprotein12754% helix, 1% strandQ969D9
BInterleukin-7 receptor subunit alphaprotein1945% helix, 51% strandP16872
CCytokine receptor-like factor 2protein1897% helix, 51% strandQ9HC73

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, C
  • SO4 · Sulfate ion · ion · 3 copies · chains C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17310.680.7692empty
23050.630.8038empty
3500.590.9216empty
4630.290.7415empty
5600.290.7413empty

Interfaces

3 interfaces between chains.

  • A–C · 1019 Ų buried · 19 hydrogen bonds · protein-protein
  • A–B · 550 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 68 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

  • 5J12 · Structure of human TSLP:TSLPR in complex with mouse IL-7Ralpha · the same entry in another collection · chain A against A, TM-score 1.00
  • P16872 · AlphaFold monomer V2.0 prediction for interleukin-7 receptor subunit alpha (P16872) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • Q9HC73 · AlphaFold monomer V2.0 prediction for cytokine receptor-like factor 2 (Q9HC73) · a predicted model of the same protein · chain C against A, TM-score 0.98
  • Q969D9 · AlphaFold monomer V2.0 prediction for thymic stromal lymphopoietin (Q969D9) · a predicted model of the same protein · chain A against A, TM-score 0.86

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