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Cryo-EM structure of the mgte MG2+ channel under MG2+-free conditions

Analyse Cryo-EM structure of the mgte MG2+ channel under MG2+-free conditions in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6LBH
Type
protein
Length
1,236 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Magnesium transporter mgte; Fab light chain; Fab heavy chain
UniProt
Q5SMG8
Pockets
9 · best druggability 0.77

Structure

electron microscopy · 3 distinct chains · 28% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMagnesium transporter mgteprotein17885% helix, 0% strandQ5SMG8
D, FFab light chainprotein2165% helix, 39% strand—
C, EFab heavy chainprotein2244% helix, 44% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16060.770.8364empty
24320.590.7448empty
34100.570.7453empty
4800.410.7921empty
5690.370.7817empty

Interfaces

7 interfaces between chains.

  • A–B · 2768 Ų buried · 21 hydrogen bonds · protein-protein
  • D–C · 1987 Ų buried · 14 hydrogen bonds · protein-protein
  • F–E · 1924 Ų buried · 12 hydrogen bonds · protein-protein
  • A–E · 608 Ų buried · 10 hydrogen bonds · protein-protein
  • B–C · 601 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 6LBH · Cryo-EM structure of the MgtE Mg2+ channel under Mg2+-free conditions · the same entry in another collection · chain D against D, TM-score 1.00
  • Q5SMG8 · AlphaFold monomer V2.0 prediction for magnesium transporter mgte (Q5SMG8) · a predicted model of the same protein · chain A against A, TM-score 0.94

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