MolNFT v1 · #150467 · protein
Molybdenum storage protein with two occupied ATP binding sites
6GUJ · Molybdenum storage protein subunit beta: “Molybdenum storage protein with two occupied ATP binding sites”. X-ray diffraction, 5 ligands (ATP, 8M0, MO), 6 pockets (best druggability 0.77). MolNFT v1 #150467 on GenesisL1: 3D…
- PDB
- 6GUJ
- Type
- protein
- Length
- 513 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, MO, MG, MOO
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Molybdenum storage protein subunit beta | protein | 268 | 42% helix, 15% strand | P84253 |
| A | Molybdenum storage protein subunit alpha | protein | 245 | 44% helix, 16% 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
- MO · Molybdenum atom · metal · 7 copies · chains B, A
- MG · Magnesium ion · metal · chains A
- 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 248 | 0.77 | 0.90 | 37 | ATP, MG |
| 2 | 51 | 0.68 | 0.96 | 20 | empty |
| 3 | 286 | 0.63 | 0.80 | 33 | ATP |
| 4 | 174 | 0.45 | 0.75 | 28 | empty |
| 5 | 121 | 0.43 | 0.76 | 20 | 8M0 |
Interfaces
1 interface between chains.
- B–A · 2266 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 6GUJ · Molybdenum storage protein with two occupied ATP binding sites · 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 6GUJ · PDBe 6GUJ · UniProt P84253 · UniProt P84308
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