MolNFT v1 · #47316 · protein
Crystal structure of the soluble part of a magnesium transporter
2OUX: “Crystal structure of the soluble part of a magnesium transporter”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.78). MolNFT v1 #47316 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2OUX
- Type
- protein
- Length
- 513 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Magnesium transporter
- UniProt
- Q830V1
- Ligands
- MG
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Magnesium transporter | protein | 257 | 53% helix, 13% strand | Q830V1 |
| B | Magnesium transporter | protein | 256 | 54% helix, 13% strand | Q830V1 |
Ligands and binding sites
- MG · Magnesium ion · metal · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1041 | 0.78 | 0.80 | 98 | MG |
| 2 | 838 | 0.78 | 0.81 | 78 | MG |
| 3 | 144 | 0.44 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1826 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 modified (engineered).
Compared structures
- 2OUX · Crystal structure of the soluble part of a magnesium transporter · the same entry in another collection · chain A against A, TM-score 1.00
- Q830V1 · AlphaFold monomer V2.0 prediction for magnesium transporter mgte (Q830V1) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q830V1
- Elsewhere: RCSB PDB 2OUX · PDBe 2OUX · UniProt Q830V1
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