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Crystal structure of the cysteine-rich domain of human frizzled 4 - crystal form I

Analyse Crystal structure of the cysteine-rich domain of human frizzled 4 - crystal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5BPB
Type
protein
Length
494 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Frizzled-4
UniProt
Q9ULV1
Ligands
NAG
Pockets
5 · best druggability 0.87

Structure

x-ray diffraction · 4 distinct chains · 41% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFrizzled-4protein11944% helix, 12% strandQ9ULV1
BFrizzled-4protein12741% helix, 11% strandQ9ULV1
DFrizzled-4protein13038% helix, 7% strandQ9ULV1
CFrizzled-4protein11842% helix, 8% strandQ9ULV1

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B, D

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19510.870.8896empty
21550.590.8329empty
3690.370.7819empty
4600.320.7617empty
5620.310.7519empty

Interfaces

6 interfaces between chains.

  • A–B · 688 Ų buried · 4 hydrogen bonds · protein-protein
  • A–C · 417 Ų buried · 4 hydrogen bonds · protein-protein
  • B–D · 403 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 400 Ų buried · 2 hydrogen bonds · protein-protein
  • B–C · 380 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 20 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

  • 5BPB · Crystal structure of the cysteine-rich domain of human Frizzled 4 - Crystal Form I · the same entry in another collection · chain C against C, TM-score 1.00
  • Q9ULV1 · AlphaFold monomer V2.0 prediction for frizzled-4 (Q9ULV1) · a predicted model of the same protein · chain C against A, TM-score 0.98

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