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Structure of neurexin 1 alpha (domains LNS1-LNS6), no splice inserts

Analyse Structure of neurexin 1 alpha (domains LNS1-LNS6), no splice inserts in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3QCW
Type
protein
Length
2,006 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neurexin-1-alpha
UniProt
Q28146
Ligands
NAG
Pockets
10 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNeurexin-1-alphaprotein10033% helix, 46% strandQ28146

Ligands and binding sites

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

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110140.760.7880empty
210430.750.7874empty
32790.590.7836empty
41830.560.8041empty
52930.560.7735empty

Modifications

Observed in the structure: 20 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 3QCW · Structure of neurexin 1 alpha (domains LNS1-LNS6), no splice inserts · the same entry in another collection · chain A against A, TM-score 1.00
  • Q28146 · AlphaFold monomer V2.0 prediction for neurexin-1 (Q28146) · a predicted model of the same protein · chain A against A, TM-score 0.97

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