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The crystal structure of the molybdenum storage protein (mosto) from azotobacter vinelandii loaded with various polyoxometalates

Analyse The crystal structure of the molybdenum storage protein (mosto) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4F6T
Type
protein
Length
512 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Molybdenum storage protein subunit beta; Molybdenum storage protein subunit alpha
UniProt
P84253, P84308
Ligands
ATP, 8M0, 6M0, MG, MO, PO4
Pockets
5 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BMolybdenum storage protein subunit betaprotein26844% helix, 15% strandP84253
AMolybdenum storage protein subunit alphaprotein24444% helix, 17% strandP84308

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains B, A
  • 8M0 · bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (VI) · ligand · 2 copies · chains B, A
  • 6M0 · MO(6)-O(26) Cluster · ligand · chains B, A
  • MG · Magnesium ion · metal · 2 copies · chains B, A
  • MO · Molybdenum atom · metal · chains A
  • PO4 · Phosphate ion · ion · 2 copies · chains B, A

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12700.780.9040ATP, MG
23110.650.8137ATP
31900.450.7432empty
41390.440.76218M0, MG
5780.380.7819empty

Interfaces

1 interface between chains.

  • B–A · 2301 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 4F6T · The crystal structure of the molybdenum storage protein (MoSto) from Azotobacter… · the same entry in another collection · chain B against B, TM-score 1.00
  • P84308 · AlphaFold monomer V2.0 prediction for molybdenum storage protein subunit alpha (P84308) · a predicted model of the same protein · chain A against A, TM-score 1.00
  • P84253 · AlphaFold monomer V2.0 prediction for molybdenum storage protein subunit beta (P84253) · a predicted model of the same protein · chain B against A, TM-score 0.97

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