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NPC1 structure in nanodisc

Analyse NPC1 structure in nanodisc in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6W5R
Type
protein
Length
1,194 residues
Chains
1
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Npc intracellular cholesterol transporter 1
UniProt
O15118
Ligands
CLR, NAG, BMA, MAN
Pockets
15 · best druggability 0.87

Structure

electron microscopy · 1 distinct chain · 50% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANpc intracellular cholesterol transporter 1protein119450% helix, 8% strandO15118

Ligands and binding sites

  • CLR · Cholesterol · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 17 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · chains A
  • MAN · alpha-D-mannopyranose · sugar

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

Pockets

15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111500.870.88111empty
23870.820.9133CLR
3610.710.9721empty
44850.680.7949empty
55250.630.7644empty

Modifications

Observed in the structure: 15 disulfide, 13 glycan (disulfide, N-glycosylation).

Compared structures

  • 6W5R · NPC1 structure in Nanodisc · the same entry in another collection · chain A against A, TM-score 1.00
  • O15118 · AlphaFold monomer V2.0 prediction for npc intracellular cholesterol transporter 1 (O15118) · a predicted model of the same protein · chain A against A, TM-score 0.90

Analyse

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