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The complete structure of cora magnesium transporter from methanocaldococcus jannaschii
Analyse The complete structure of cora magnesium transporter from methanocaldococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4EV6
- Type
- protein
- Length
- 1,574 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Magnesium transport protein cora
- UniProt
- Q58439
- Ligands
- UMQ, MG
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 3 distinct chains · 56% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Magnesium transport protein cora | protein | 315 | 57% helix, 11% strand | Q58439 |
| B, C, D | Magnesium transport protein cora | protein | 314 | 55% helix, 10% strand | Q58439 |
| E | Magnesium transport protein cora | protein | 317 | 57% helix, 9% strand | Q58439 |
Ligands and binding sites
- UMQ · Undecyl-maltoside · ligand · 8 copies · chains A, B, C, D, E
- MG · Magnesium ion · metal · 32 copies · chains A, E, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 883 | 0.88 | 0.91 | 60 | MG |
| 2 | 788 | 0.79 | 0.82 | 82 | MG |
| 3 | 720 | 0.79 | 0.83 | 73 | MG |
| 4 | 826 | 0.79 | 0.82 | 77 | MG |
| 5 | 366 | 0.76 | 0.86 | 52 | empty |
Interfaces
10 interfaces between chains.
- C–D · 2406 Ų buried · 19 hydrogen bonds · protein-protein
- A–E · 2357 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 2296 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 2007 Ų buried · 10 hydrogen bonds · protein-protein
- D–E · 1930 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4EV6 · The complete structure of CorA magnesium transporter from Methanocaldococcus jannaschii · the same entry in another collection · chain E against E, TM-score 1.00
- Q58439 · AlphaFold monomer V2.0 prediction for COBALT/MAGNESIUM transport protein cora (Q58439) · a predicted model of the same protein · chain C against A, TM-score 0.94
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 Q58439
- Elsewhere: RCSB PDB 4EV6 · PDBe 4EV6 · UniProt Q58439
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