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MolNFT v1 · #87855 · protein

Structure of ZNRF3 ectodomain

4CDJ · E3 ubiquitin-protein ligase ZNRF3: “Structure of ZNRF3 ectodomain”. X-ray diffraction, 4 pockets (best druggability 0.52). MolNFT v1 #87855 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4CDJ
Type
protein
Length
307 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
E3 ubiquitin-protein ligase ZNRF3
EC
6.3.2.-
UniProt
Q5SSZ7
Pockets
4 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AE3 ubiquitin-protein ligase ZNRF3 (EC 6.3.2.-)protein15322% helix, 34% strandQ5SSZ7
BE3 ubiquitin-protein ligase ZNRF3 (EC 6.3.2.-)protein15421% helix, 34% strandQ5SSZ7

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
  • FMT · Formic acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.520.8024empty
2860.460.8117empty
3730.440.8118empty
4640.330.7513empty

Interfaces

1 interface between chains.

  • A–B · 1134 Ų buried · 26 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 4CDJ · Structure of ZNRF3 ectodomain · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5SSZ7 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase ZNRF3 (Q5SSZ7) · a predicted model of the same protein · chain A against A, TM-score 0.95

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