MolNFT v1 · #150877 · protein
Molybdenum storage protein- H156A
6H6W · Molybdenum storage protein subunit beta: “Molybdenum storage protein- H156A”. X-ray diffraction, 7 ligands (ATP, FUQ, 8M0), 6 pockets (best druggability 0.77). MolNFT v1 #150877 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6H6W
- 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, 8M0, MO, MG, PO4, MOO
- Pockets
- 6 · best druggability 0.77
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, 16% 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
- FUQ · Mo5 Cluster · ligand · 2 copies · chains B, A
- 8M0 · bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (VI) · ligand · chains A
- MO · Molybdenum atom · metal · 2 copies · chains A
- MG · Magnesium ion · metal · chains A
- PO4 · Phosphate ion · ion · chains B
- MOO · Molybdate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 257 | 0.77 | 0.90 | 39 | ATP, MG |
| 2 | 351 | 0.64 | 0.79 | 38 | ATP |
| 3 | 88 | 0.45 | 0.80 | 22 | FUQ |
| 4 | 158 | 0.44 | 0.75 | 24 | empty |
| 5 | 75 | 0.38 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- B–A · 2362 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 6H6W · Molybdenum storage protein- H156A · 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 0.98
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 6H6W · PDBe 6H6W · UniProt P84253 · UniProt P84308
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