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Designed repeat protein specifically in complex with FZ7CRD

Analyse Designed repeat protein specifically in complex with FZ7CRD in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6NE4
Type
protein
Length
313 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Designed repeat binding protein; Frizzled-7
UniProt
O75084
Ligands
SO4
Pockets
3 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BDesigned repeat binding proteinprotein19457% helix, 0% strand—
AFrizzled-7protein11940% helix, 9% strandO75084

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 14 copies · chains B, A
  • EDO · 1,2-ethanediol · additive · 2 copies · chains B, A

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11040.450.7822SO4
2640.320.7516SO4
3630.310.7517empty

Interfaces

1 interface between chains.

  • B–A · 1137 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 6NE4 · Designed repeat protein specifically in complex with Fz7CRD · the same entry in another collection · chain B against B, TM-score 1.00
  • O75084 · AlphaFold monomer V2.0 prediction for frizzled-7 (O75084) · a predicted model of the same protein · chain A against A, TM-score 0.95

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