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MolNFT v1 · #91224 · protein

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

4F6T · Molybdenum storage protein subunit beta: “The crystal structure of the molybdenum storage protein (mosto) from azotobacter vinelandii loaded with…”. X-ray diffraction, 6 ligands (ATP, 8M0, 6M0), 5 pockets (best druggability 0.78).…

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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