MolNFT v1 · #150885 · protein
The molybdenum storage protein - L131H
6H74 · Molybdenum storage protein subunit beta: “The molybdenum storage protein - L131H”. X-ray diffraction, 7 ligands (ATP, FUQ, GWW), 5 pockets (best druggability 0.76). MolNFT v1 #150885 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6H74
- 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, FUQ, GWW, GWN, MG, PO4, MOO
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Molybdenum storage protein subunit beta | protein | 268 | 43% helix, 15% strand | P84253 |
| A | Molybdenum storage protein subunit alpha | protein | 244 | 44% helix, 16% strand | P84308 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains B, A
- FUQ · Mo5 Cluster · ligand · 2 copies · chains B, A
- GWW · pentakis(oxidanyl)molybdenum · ligand · chains B
- GWN · Mo8 cluster · ligand · chains A
- MG · Magnesium ion · metal · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains B
- MOO · Molybdate ion · ion · chains 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 | 250 | 0.76 | 0.90 | 39 | ATP, MG |
| 2 | 300 | 0.62 | 0.80 | 35 | ATP |
| 3 | 158 | 0.43 | 0.74 | 27 | empty |
| 4 | 115 | 0.39 | 0.75 | 21 | FUQ |
| 5 | 72 | 0.38 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- B–A · 2299 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 covalent (covalent ligand).
Compared structures
- 6H74 · The molybdenum storage protein - L131H · 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 6H74 · PDBe 6H74 · UniProt P84253 · UniProt P84308
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