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Cryo-EM structure of the magnesium channel cora in the closed symmetric magnesium-bound state

Analyse Cryo-EM structure of the magnesium channel cora in the closed symmetric… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3JCF
Type
protein
Length
1,745 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Magnesium transport protein cora
UniProt
Q9WZ31
Ligands
MG
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 1 distinct chain · 52% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EMagnesium transport protein coraprotein34952% helix, 14% strandQ9WZ31

Ligands and binding sites

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

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

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14670.880.9551MG
22340.840.9628empty
36490.750.8155empty
46670.750.8160empty
56680.750.8159empty

Interfaces

10 interfaces between chains.

  • C–D · 2822 Ų buried · 21 hydrogen bonds · protein-protein
  • B–C · 2820 Ų buried · 21 hydrogen bonds · protein-protein
  • D–E · 2816 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 2815 Ų buried · 22 hydrogen bonds · protein-protein
  • A–E · 2807 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 3JCF · Cryo-EM structure of the magnesium channel CorA in the closed symmetric magnesium-bound… · the same entry in another collection · chain E against E, TM-score 1.00
  • Q9WZ31 · AlphaFold monomer V2.0 prediction for COBALT/MAGNESIUM transport protein cora (Q9WZ31) · a predicted model of the same protein · chain A against A, TM-score 0.94

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