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Molybdenum storage protein under turnover conditions

Analyse Molybdenum storage protein under turnover conditions in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 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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