GL1X · GenesisL1 explorer

MolNFT v1 · #145706 · protein

Crystal structure of neurexin-1 alpha ectodomain fragment, L2-L3

6CW1: “Crystal structure of neurexin-1 alpha ectodomain fragment, L2-L3”. X-ray diffraction, 3 pockets (best druggability 0.55). MolNFT v1 #145706 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6CW1
Type
protein
Length
762 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neurexin-1
UniProt
Q28146
Pockets
3 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeurexin-1protein3807% helix, 46% strandQ28146
BNeurexin-1protein3827% helix, 46% strandQ28146

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11180.550.8322empty
2960.430.7928empty
31030.390.7625empty

Interfaces

1 interface between chains.

  • A–B · 798 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6CW1 · Crystal structure of Neurexin-1 alpha ectodomain fragment, L2-L3 · 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 0.55

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