Research workbench
The crystal structure of the molybdenum storage protein (mosto) from azotobacter vinelandii loaded with various polyoxometalates
Analyse The crystal structure of the molybdenum storage protein (mosto) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4F6T
- Type
- protein
- Length
- 512 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, 6M0, MG, MO, PO4
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Molybdenum storage protein subunit beta | protein | 268 | 44% helix, 15% strand | P84253 |
| A | Molybdenum storage protein subunit alpha | protein | 244 | 44% helix, 17% strand | P84308 |
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
- 6M0 · MO(6)-O(26) Cluster · ligand · chains B, A
- MG · Magnesium ion · metal · 2 copies · chains B, A
- MO · Molybdenum atom · metal · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 270 | 0.78 | 0.90 | 40 | ATP, MG |
| 2 | 311 | 0.65 | 0.81 | 37 | ATP |
| 3 | 190 | 0.45 | 0.74 | 32 | empty |
| 4 | 139 | 0.44 | 0.76 | 21 | 8M0, MG |
| 5 | 78 | 0.38 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- B–A · 2301 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 4F6T · The crystal structure of the molybdenum storage protein (MoSto) from Azotobacter… · 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
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 P84253
- Every structure of UniProt P84308
- Elsewhere: RCSB PDB 4F6T · PDBe 4F6T · UniProt P84253 · UniProt P84308
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