MolNFT v1 · #162772 · protein
The KB42S variant of the molybdenum storage protein
6RIS · Molybdenum storage protein subunit beta: “The KB42S variant of the molybdenum storage protein”. X-ray diffraction, 4 ligands (ATP, MG, PO4), 7 pockets (best druggability 0.76). MolNFT v1 #162772 on GenesisL1: 3D structure, binding…
- PDB
- 6RIS
- 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, MG, PO4, CL
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 15% 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, 15% strand | P84308 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains B, A
- MG · Magnesium ion · metal · chains A
- PO4 · Phosphate ion · ion · 5 copies · chains B, A
- CL · Chloride ion · ion · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 280 | 0.76 | 0.89 | 38 | ATP, MG |
| 2 | 52 | 0.68 | 0.97 | 20 | empty |
| 3 | 307 | 0.64 | 0.81 | 43 | ATP |
| 4 | 177 | 0.56 | 0.80 | 26 | PO4 |
| 5 | 160 | 0.44 | 0.75 | 30 | CL |
Interfaces
1 interface between chains.
- B–A · 2382 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 6RIS · The Kb42S variant of the molybdenum storage protein · 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 0.99
- 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 0.98
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 6RIS · PDBe 6RIS · UniProt P84253 · UniProt P84308
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