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MolNFT v1 · #181809 · protein

Full length ALPHA1 glycine receptor in presence of 1MM glycine and 32UM tetrahydrocannabinol state 1

7M6Q · Glycine receptor subunit ALPHAZ1: “Full length ALPHA1 glycine receptor in presence of 1MM glycine and 32UM tetrahydrocannabinol state 1”. Electron microscopy, 3 ligands (GLY, TCI, NAG), 20 pockets (best druggability 0.79). MolNFT v1…

PDB
7M6Q
Type
protein
Length
1,795 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycine receptor subunit ALPHAZ1
UniProt
O93430
Ligands
GLY, TCI, NAG
Pockets
20 · best druggability 0.79

Structure

electron microscopy · 1 distinct chain · 37% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EGlycine receptor subunit ALPHAZ1protein35937% helix, 25% strandO93430

Ligands and binding sites

  • GLY · Glycine · ligand · 5 copies · chains A, B, E, C, D
  • TCI · (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol · ligand · 5 copies · chains A, B, C, D, E
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A, B, C, D, E

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

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16270.790.8449empty
24600.700.8153empty
33560.690.8248empty
45960.680.7860empty
55580.670.7756empty

Interfaces

5 interfaces between chains.

  • A–B · 2348 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 2293 Ų buried · 13 hydrogen bonds · protein-protein
  • A–E · 2281 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 2249 Ų buried · 13 hydrogen bonds · protein-protein
  • D–E · 2243 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 7M6Q · Full length alpha1 Glycine receptor in presence of 1mM Glycine and 32uM… · the same entry in another collection · chain E against E, TM-score 1.00
  • O93430 · AlphaFold monomer V2.0 prediction for glycine receptor subunit ALPHAZ1 (O93430) · a predicted model of the same protein · chain B against A, TM-score 0.96

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