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).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Molybdenum storage protein subunit alpha | protein | 271 | 39% helix, 14% strand | P84308 |
| B, D, F, H, J, L | Molybdenum storage protein subunit beta | protein | 268 | 42% helix, 14% strand | P84253 |
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 629 | 0.81 | 0.86 | 69 | empty |
| 2 | 251 | 0.80 | 0.92 | 40 | ATP, MOO |
| 3 | 238 | 0.80 | 0.93 | 41 | ATP, MOO |
| 4 | 253 | 0.79 | 0.92 | 41 | ATP, MOO |
| 5 | 236 | 0.79 | 0.92 | 39 | ATP, 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
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P84308
- Every structure of UniProt P84253
- Elsewhere: RCSB PDB 6RKD · PDBe 6RKD · UniProt P84308 · UniProt P84253
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