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Crystal structure of norrin in complex with the cysteine-rich domain of frizzled 4 and sucrose octasulfate

Analyse Crystal structure of norrin in complex with the cysteine-rich domain of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5BQC
Type
protein
Length
224 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Frizzled-4; Norrin
UniProt
Q9ULV1, Q00604
Ligands
GU4, YYJ, NAG
Pockets
1 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BFrizzled-4protein12439% helix, 8% strandQ9ULV1
ANorrinprotein1000% helix, 60% strandQ00604

Ligands and binding sites

  • GU4 · 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose · ligand · chains B, A
  • YYJ · 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose · ligand · chains B, A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains B, A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11780.490.7620empty

Interfaces

1 interface between chains.

  • B–A · 853 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 5BQC · Crystal structure of Norrin in complex with the cysteine-rich domain of Frizzled 4 and… · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9ULV1 · AlphaFold monomer V2.0 prediction for frizzled-4 (Q9ULV1) · a predicted model of the same protein · chain B against A, TM-score 0.94
  • Q00604 · AlphaFold monomer V2.0 prediction for norrin (Q00604) · a predicted model of the same protein · chain A against A, TM-score 0.93

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