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MolNFT v1 · #122823 · protein

Structure of human tslp in complex with tslpr and il-7RALPHA

5J11 · Thymic stromal lymphopoietin: “Structure of human tslp in complex with tslpr and il-7RALPHA”. X-ray diffraction, 1 ligand (NAG), 5 pockets (best druggability 0.60). MolNFT v1 #122823 on GenesisL1: 3D structure, binding sites and…

PDB
5J11
Type
protein
Length
500 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, D6RGV2, Q9HC73
Ligands
NAG
Pockets
5 · best druggability 0.60

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AThymic stromal lymphopoietinprotein11459% helix, 0% strandQ969D9
BInterleukin-7 receptor subunit alphaprotein1965% helix, 52% strandD6RGV2
CCytokine receptor-like factor 2protein1906% helix, 50% strandQ9HC73

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains C
  • PGE · Triethylene glycol · additive · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13560.600.7751empty
22840.590.7838empty
3770.420.8014empty
4640.370.7914empty
5900.360.7513empty

Interfaces

3 interfaces between chains.

  • A–C · 1010 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 649 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 449 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 5J11 · Structure of human TSLP in complex with TSLPR and IL-7Ralpha · the same entry in another collection · chain A against A, TM-score 1.00
  • 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 0.99
  • Q969D9 · AlphaFold monomer V2.0 prediction for thymic stromal lymphopoietin (Q969D9) · a predicted model of the same protein · chain A against A, TM-score 0.93

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