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MolNFT v1 · #68423 · protein

Crystal structure of an interleukin-17 receptor complex

3JVF · Interleukin-17F: “Crystal structure of an interleukin-17 receptor complex”. X-ray diffraction, 2 ligands (NAG, CA), 9 pockets (best druggability 0.69). MolNFT v1 #68423 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3JVF
Type
protein
Length
479 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Interleukin-17F; Interleukin-17 receptor a
UniProt
Q96PD4, Q96F46
Ligands
NAG, CA
Pockets
9 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 3% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInterleukin-17Fprotein1044% helix, 54% strandQ96PD4
BInterleukin-17Fprotein1044% helix, 57% strandQ96PD4
CInterleukin-17 receptor aprotein2713% helix, 40% strandQ96F46

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A, C
  • CA · Calcium ion · metal · chains B, C

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

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12820.690.8433empty
2640.590.9018empty
31470.550.8130empty
42130.540.7835empty
51570.480.7718empty

Interfaces

3 interfaces between chains.

  • A–B · 2437 Ų buried · 31 hydrogen bonds · protein-protein
  • B–C · 1474 Ų buried · 20 hydrogen bonds · protein-protein
  • A–C · 998 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide, 6 glycan, 1 modified (disulfide, N-glycosylation, methylation).

Compared structures

  • 3JVF · Crystal structure of an Interleukin-17 receptor complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96F46 · AlphaFold monomer V2.0 prediction for interleukin-17 receptor a (Q96F46) · a predicted model of the same protein · chain C against A, TM-score 0.96
  • Q96PD4 · AlphaFold monomer V2.0 prediction for interleukin-17F (Q96PD4) · a predicted model of the same protein · chain A against A, TM-score 0.92

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