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MolNFT v1 · #176015 · protein

Cryoem structure of human gamma-secretase in complex with E2012 and L685458

7D8X: “Cryoem structure of human gamma-secretase in complex with E2012 and L685458”. Electron microscopy, 7 ligands (CLR, PC1, GZR). MolNFT v1 #176015 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7D8X
Type
protein
Length
1,313 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q92542, P49768, Q96BI3, Q9NZ42
Ligands
CLR, PC1, GZR, PTY, FTO, NAG, BMA

Structure

electron microscopy · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein667—Q92542
B—protein307—P49768
C—protein243—Q96BI3
D—protein96—Q9NZ42

Ligands and binding sites

  • CLR · Cholesterol · ligand · 3 copies · chains C
  • PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine · ligand · 2 copies · chains B, C, A
  • GZR · 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one · ligand · chains A, B
  • PTY · Phosphatidylethanolamine · ligand · chains B
  • FTO · ~{tert}-butyl ~{N}-[(2~{S},3~{R},5~{R})-6-[[(2~{S})-1-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl) hexan-2-yl]carbamate · ligand · chains B
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 18 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · 3 copies

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

Compared structures

  • 7D8X · CryoEM structure of human gamma-secretase in complex with E2012 and L685458 · the same entry in another collection · chain D against D, TM-score 1.00
  • Q9NZ42 · AlphaFold monomer V2.0 prediction for gamma-secretase subunit pen-2 (Q9NZ42) · a predicted model of the same protein · chain D against A, TM-score 0.99
  • Q92542 · AlphaFold monomer V2.0 prediction for nicastrin (Q92542) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • P49768 · AlphaFold monomer V2.0 prediction for presenilin-1 (P49768) · a predicted model of the same protein · chain B against A, TM-score 0.98
  • Q96BI3 · AlphaFold monomer V2.0 prediction for gamma-secretase subunit aph-1A (Q96BI3) · a predicted model of the same protein · chain C against A, TM-score 0.97

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