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MolNFT v1 · #114332 · protein

Cyro-EM structure of human glycine receptor ALPHA2-beta heteromer, glycine bound, desensitized state

5BKF · Glycine receptor subunit alpha-2: “Cyro-EM structure of human glycine receptor ALPHA2-beta heteromer, glycine bound, desensitized state”. Electron microscopy, 2 ligands (GLY, NAG), 19 pockets (best druggability 0.80). MolNFT v1…

PDB
5BKF
Type
protein
Length
1,689 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycine receptor subunit alpha-2; Glycine receptor subunit BETA,GREEN fluorescent protein
UniProt
P23416, P48167, P42212
Ligands
GLY, NAG
Pockets
19 · best druggability 0.80

Structure

electron microscopy · 2 distinct chains · 35% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DGlycine receptor subunit alpha-2protein33836% helix, 25% strandP23416
EGlycine receptor subunit BETA,GREEN fluorescent proteinprotein33733% helix, 24% strandP48167, P42212

Ligands and binding sites

  • GLY · Glycine · ligand · 5 copies · chains A, E, B, C, D
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A, B, C, D, E

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

Pockets

19 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18390.800.8284empty
24810.750.8362empty
34490.690.8156empty
44600.690.8054empty
54370.680.8052empty

Interfaces

5 interfaces between chains.

  • D–E · 2658 Ų buried · 16 hydrogen bonds · protein-protein
  • A–E · 2571 Ų buried · 11 hydrogen bonds · protein-protein
  • B–C · 2538 Ų buried · 20 hydrogen bonds · protein-protein
  • C–D · 2525 Ų buried · 20 hydrogen bonds · protein-protein
  • A–B · 2512 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide, 9 glycan (disulfide, N-glycosylation).

Compared structures

  • 5BKF · Cyro-EM structure of human Glycine Receptor alpha2-beta heteromer, Glycine bound… · the same entry in another collection · chain D against D, TM-score 1.00
  • P23416 · AlphaFold monomer V2.0 prediction for glycine receptor subunit alpha-2 (P23416) · a predicted model of the same protein · chain C against A, TM-score 0.99
  • P48167 · AlphaFold monomer V2.0 prediction for glycine receptor subunit beta (P48167) · a predicted model of the same protein · chain E against A, TM-score 0.97
  • P42212 · AlphaFold monomer V2.0 prediction for green fluorescent protein (P42212) · a predicted model of the same protein · chain E against A, TM-score 0.22

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