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Crystal structure of drosophila miro ef hand and cgtpase domains bound to one magnesium ion and MG:GDP (mggdp-miros)

Analyse Crystal structure of drosophila miro ef hand and cgtpase domains bound to one… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4C0L
Type
protein
Length
404 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mitochondrial rho GTPase
EC
3.6.5.-
UniProt
Q8IMX7
Ligands
GDP, HSE, MG, NA, SO4, UNX
Pockets
7 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMitochondrial rho GTPase (EC 3.6.5.-)protein40441% helix, 16% strandQ8IMX7

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · chains A
  • HSE · L-homoserine · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A
  • NA · Sodium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A
  • UNX · Unknown atom or ion · ion · chains 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12440.730.8732HSE
21570.500.7821SO4
3990.440.7918empty
4950.420.7821GDP
5700.340.7618empty

Compared structures

  • 4C0L · Crystal structure of Drosophila Miro EF hand and cGTPase domains bound to one magnesium… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8IMX7 · AlphaFold monomer V2.0 prediction for mitochondrial rho GTPase (Q8IMX7) · a predicted model of the same protein · chain A against A, TM-score 0.97

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