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MolNFT v1 · #150467 · protein

Molybdenum storage protein with two occupied ATP binding sites

6GUJ · Molybdenum storage protein subunit beta: “Molybdenum storage protein with two occupied ATP binding sites”. X-ray diffraction, 5 ligands (ATP, 8M0, MO), 6 pockets (best druggability 0.77). MolNFT v1 #150467 on GenesisL1: 3D…

PDB
6GUJ
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, 8M0, MO, MG, MOO
Pockets
6 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BMolybdenum storage protein subunit betaprotein26842% helix, 15% strandP84253
AMolybdenum storage protein subunit alphaprotein24544% helix, 16% 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
  • MO · Molybdenum atom · metal · 7 copies · chains B, A
  • MG · Magnesium ion · metal · chains A
  • MOO · Molybdate ion · ion · chains A

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
12480.770.9037ATP, MG
2510.680.9620empty
32860.630.8033ATP
41740.450.7528empty
51210.430.76208M0

Interfaces

1 interface between chains.

  • B–A · 2266 Ų buried · 27 hydrogen bonds · protein-protein

Compared structures

  • 6GUJ · Molybdenum storage protein with two occupied ATP binding sites · 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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