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Improved crystal structure of magnesium transporter mgte

Analyse Improved crystal structure of magnesium transporter mgte in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2ZY9
Type
protein
Length
856 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MG2+ transporter mgte
UniProt
Q5SMG8
Ligands
MG
Pockets
7 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 63% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMG2+ transporter mgteprotein42766% helix, 9% strandQ5SMG8
BMG2+ transporter mgteprotein42960% helix, 8% strandQ5SMG8

Ligands and binding sites

  • MG · Magnesium ion · metal · 13 copies · chains B, A

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19600.830.84106MG
21010.760.9729MG
33260.700.8444MG
4680.520.8612empty
5720.490.8417empty

Interfaces

1 interface between chains.

  • A–B · 4988 Ų buried · 54 hydrogen bonds · protein-protein

Compared structures

  • 2ZY9 · Improved crystal structure of magnesium transporter MgtE · the same entry in another collection · chain A against A, 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 0.96

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