Research workbench
Improved structure of thermotoga maritima cora at 2.7 a resolution
Analyse Improved structure of thermotoga maritima cora at 2.7 a resolution in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4I0U
- Type
- protein
- Length
- 3,455 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Magnesium transport protein cora
- UniProt
- Q9WZ31
- Ligands
- MG, CL
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 6 distinct chains · 55% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Magnesium transport protein cora | protein | 347 | 55% helix, 14% strand | Q9WZ31 |
| B | Magnesium transport protein cora | protein | 348 | 56% helix, 15% strand | Q9WZ31 |
| D | Magnesium transport protein cora | protein | 343 | 55% helix, 15% strand | Q9WZ31 |
| E, I, J | Magnesium transport protein cora | protein | 345 | 56% helix, 15% strand | Q9WZ31 |
| F, G | Magnesium transport protein cora | protein | 346 | 53% helix, 15% strand | Q9WZ31 |
| H | Magnesium transport protein cora | protein | 343 | 55% helix, 15% strand | Q9WZ31 |
Ligands and binding sites
- MG · Magnesium ion · metal · 24 copies · chains A, D, B, C, E, F, G, I, H, J
- CL · Chloride ion · ion · 13 copies · chains A, B, C, E, D, F, G, H, J, I
- PEG · Di(hydroxyethyl)ether · additive · 21 copies · chains B, C, D, E, G, F, H, J, I
- LMT · Dodecyl-beta-D-maltoside · additive · 3 copies · chains A, B
- PG0 · 2-(2-methoxyethoxy)ethanol · additive · chains E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 449 | 0.87 | 0.94 | 62 | empty |
| 2 | 479 | 0.87 | 0.94 | 59 | MG |
| 3 | 202 | 0.82 | 0.95 | 25 | empty |
| 4 | 895 | 0.80 | 0.82 | 107 | empty |
| 5 | 679 | 0.78 | 0.83 | 58 | MG |
Interfaces
17 interfaces between chains.
- A–B · 2859 Ų buried · 23 hydrogen bonds · protein-protein
- D–E · 2816 Ų buried · 21 hydrogen bonds · protein-protein
- F–I · 2777 Ų buried · 22 hydrogen bonds · protein-protein
- F–G · 2773 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 2755 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 4I0U · Improved structure of Thermotoga maritima CorA at 2.7 A resolution · the same entry in another collection · chain E against E, TM-score 1.00
- Q9WZ31 · AlphaFold monomer V2.0 prediction for COBALT/MAGNESIUM transport protein cora (Q9WZ31) · a predicted model of the same protein · chain D 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 Q9WZ31
- Elsewhere: RCSB PDB 4I0U · PDBe 4I0U · UniProt Q9WZ31
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