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Molybdenum storage protein without polyoxomolybdate clusters

Analyse Molybdenum storage protein without polyoxomolybdate clusters in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6GWB
Type
protein
Length
513 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, MG, PO4, CL
Pockets
6 · best druggability 0.78

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
BMolybdenum storage protein subunit betaprotein26844% helix, 16% strandP84253
AMolybdenum storage protein subunit alphaprotein24544% helix, 17% strandP84308

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains B, A
  • MG · Magnesium ion · metal · chains A
  • PO4 · Phosphate ion · ion · 6 copies · chains B, A
  • CL · Chloride ion · ion · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12760.780.9038ATP, MG
22810.640.8135empty
31790.560.8023PO4
41530.410.7423empty
5740.370.7821PO4

Interfaces

1 interface between chains.

  • B–A · 2383 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 6GWB · Molybdenum storage protein without polyoxomolybdate clusters · 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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