MolNFT v1 · #91224 · protein
The crystal structure of the molybdenum storage protein (mosto) from azotobacter vinelandii loaded with various polyoxometalates
4F6T · Molybdenum storage protein subunit beta: “The crystal structure of the molybdenum storage protein (mosto) from azotobacter vinelandii loaded with…”. X-ray diffraction, 6 ligands (ATP, 8M0, 6M0), 5 pockets (best druggability 0.78).…
- 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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