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Crystal structure of the SS2A splice insert-containing neurexin-1 LNS2 domain in complex with neurexophilin-1

Analyse Crystal structure of the SS2A splice insert-containing neurexin-1 LNS2 domain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PNQ
Type
protein
Length
327 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neurexin-1; Neurexophilin-1
UniProt
Q9CS84, Q63366
Pockets
2 · best druggability 0.39

Structure

x-ray diffraction · 2 distinct chains · 2% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeurexin-1protein1944% helix, 50% strandQ9CS84
BNeurexophilin-1protein1330% helix, 64% strandQ63366

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11260.390.7529empty
2600.330.7714empty

Interfaces

1 interface between chains.

  • A–B · 1258 Ų buried · 39 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6PNQ · Crystal structure of the SS2A splice insert-containing neurexin-1 LNS2 domain in complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q63366 · AlphaFold monomer V2.0 prediction for neurexophilin-1 (Q63366) · a predicted model of the same protein · chain B against A, TM-score 0.97
  • Q9CS84 · AlphaFold monomer V2.0 prediction for neurexin-1 (Q9CS84) · a predicted model of the same protein · chain A against A, TM-score 0.92

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