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MolNFT v1 · #162828 · protein

Molybdenum storage protein under turnover conditions

6RKD · Molybdenum storage protein subunit alpha: “Molybdenum storage protein under turnover conditions”. Electron microscopy, 6 ligands (ATP, 8M0, J8E), 20 pockets (best druggability 0.81). MolNFT v1 #162828 on GenesisL1: 3D structure…

PDB
6RKD
Type
protein
Length
3,234 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Molybdenum storage protein subunit alpha; Molybdenum storage protein subunit beta
UniProt
P84308, P84253
Ligands
ATP, 8M0, J8E, OMO, MG, MOO
Pockets
20 · best druggability 0.81

Structure

electron microscopy · 2 distinct chains · 40% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, G, I, KMolybdenum storage protein subunit alphaprotein27139% helix, 14% strandP84308
B, D, F, H, J, LMolybdenum storage protein subunit betaprotein26842% helix, 14% strandP84253

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
  • 8M0 · bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (VI) · ligand · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
  • J8E · oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum · ligand · 12 copies · chains A, E, B, D, F, C, G, I, H, J, L, K
  • OMO · Mo(vi)(=o)(oh)2 cluster · ligand · 6 copies · chains A, C, E, G, I, K
  • MG · Magnesium ion · metal · 6 copies · chains A, C, E, G, I, K
  • MOO · Molybdate ion · ion · 42 copies · chains A, B, C, F, D, E, G, H, K, J, I, L

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16290.810.8669empty
22510.800.9240ATP, MOO
32380.800.9341ATP, MOO
42530.790.9241ATP, MOO
52360.790.9239ATP, MOO

Interfaces

36 interfaces between chains.

  • A–B · 3337 Ų buried · 31 hydrogen bonds · protein-protein
  • C–D · 3336 Ų buried · 31 hydrogen bonds · protein-protein
  • I–J · 3334 Ų buried · 31 hydrogen bonds · protein-protein
  • G–H · 3331 Ų buried · 31 hydrogen bonds · protein-protein
  • K–L · 3325 Ų buried · 31 hydrogen bonds · protein-protein

Compared structures

  • 6RKD · Molybdenum storage protein under turnover conditions · the same entry in another collection · chain L against L, TM-score 1.00

Analyse

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