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Structure of a membrane protein

Analyse Structure of a membrane protein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4U9L
Type
protein
Length
357 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Magnesium transporter mgte
UniProt
Q5SMG8
Ligands
MG
Pockets
3 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 88% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMagnesium transporter mgteprotein17987% helix, 0% strandQ5SMG8
BMagnesium transporter mgteprotein17889% helix, 0% strandQ5SMG8

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A, B
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 5 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13260.720.8551MG
2670.320.7517empty
3520.310.7613empty

Interfaces

1 interface between chains.

  • A–B · 3025 Ų buried · 37 hydrogen bonds · protein-protein

Compared structures

  • 4U9L · Structure of a membrane protein · 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 B against A, TM-score 0.95

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