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MolNFT v1 · #107621 · protein

Low resolution structure R-spondin-2 (FU1FU2) in complex with the ectodomains of LGR5 and ZNRF3

4UFS · Leucine-rich repeat-containing G-protein coupled receptor 5: “Low resolution structure R-spondin-2 (FU1FU2) in complex with the ectodomains of LGR5 and ZNRF3”. X-ray diffraction, 7 pockets (best druggability 0.81). MolNFT v1 #107621…

PDB
4UFS
Type
protein
Length
716 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Leucine-rich repeat-containing G-protein coupled receptor 5; R-spondin-2; E3…
EC
6.3.2.-
UniProt
O75473, Q8BFU0, Q5SSZ7
Pockets
7 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALeucine-rich repeat-containing G-protein coupled receptor 5protein4605% helix, 18% strandO75473
BR-spondin-2protein1030% helix, 50% strandQ8BFU0
CE3 ubiquitin-protein ligase ZNRF3 (EC 6.3.2.-)protein15322% helix, 35% strandQ5SSZ7

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17980.810.8492empty
21030.780.9723empty
31790.620.8326empty
4650.600.9018empty
5850.410.7919empty

Interfaces

3 interfaces between chains.

  • B–C · 932 Ų buried · 16 hydrogen bonds · protein-protein
  • A–B · 907 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 52 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 13 disulfide (disulfide).

Compared structures

  • 4UFS · Low resolution structure R-spondin-2 (Fu1Fu2) in complex with the ectodomains of LGR5 and… · the same entry in another collection · chain A against A, TM-score 1.00
  • O75473 · AlphaFold monomer V2.0 prediction for leucine-rich repeat-containing G-protein coupled… · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q5SSZ7 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase ZNRF3 (Q5SSZ7) · a predicted model of the same protein · chain C against A, TM-score 0.94
  • Q8BFU0 · AlphaFold monomer V2.0 prediction for R-spondin-2 (Q8BFU0) · a predicted model of the same protein · chain B against A, TM-score 0.88

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