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MolNFT v1 · #105308 · protein

Crystal structure of the gamma-secretase component nicastrin

4R12 · Putative uncharacterized protein: “Crystal structure of the gamma-secretase component nicastrin”. X-ray diffraction, 3 ligands (NAG, BMA, CA), 5 pockets (best druggability 0.57). MolNFT v1 #105308 on GenesisL1: 3D structure, binding…

PDB
4R12
Type
protein
Length
573 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative uncharacterized protein
UniProt
F0ZBA6
Ligands
NAG, BMA, CA
Pockets
5 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative uncharacterized proteinprotein57327% helix, 27% strandF0ZBA6

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · chains A
  • CA · Calcium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13980.570.7556CA
21590.520.7920empty
32430.510.7529empty
41460.480.7723empty
5930.370.7515empty

Modifications

Observed in the structure: 6 disulfide, 5 glycan (disulfide, N-glycosylation).

Compared structures

  • 4R12 · Crystal structure of the gamma-secretase component Nicastrin · the same entry in another collection · chain A against A, TM-score 1.00
  • F0ZBA6 · AlphaFold monomer V2.0 prediction for nicastrin (F0ZBA6) · a predicted model of the same protein · chain A against A, TM-score 1.00

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