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MolNFT v1 · #165824 · protein

Crystal structure of neurotrimin (ntm)

6U7N: “Crystal structure of neurotrimin (ntm)”. X-ray diffraction, 4 ligands (NAG, BMA, FUC), 1 pocket (best druggability 0.37). MolNFT v1 #165824 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6U7N
Type
protein
Length
256 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neurotrimin
UniProt
Q9P121
Ligands
NAG, BMA, FUC, CL
Pockets
1 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 1% helix, 59% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeurotriminprotein2561% helix, 59% strandQ9P121

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · chains A
  • FUC · alpha-L-fucopyranose · sugar · chains A
  • CL · Chloride ion · ion · 8 copies · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains 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
11080.370.7419empty

Modifications

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

Compared structures

  • 6U7N · Crystal structure of neurotrimin (NTM) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9P121 · AlphaFold monomer V2.0 prediction for neurotrimin (Q9P121) · a predicted model of the same protein · chain A against A, TM-score 0.90

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