Research workbench
The structure of the soluble domain of cora from methanocaldococcus jannaschii
Analyse The structure of the soluble domain of cora from methanocaldococcus jannaschii in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4EGW
- Type
- protein
- Length
- 500 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Magnesium transport protein cora
- UniProt
- Q58439
- Ligands
- MG
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Magnesium transport protein cora | protein | 250 | 53% helix, 16% strand | Q58439 |
Ligands and binding sites
- MG · Magnesium ion · metal · 3 copies · chains A, B
- HEZ · Hexane-1,6-diol · additive · 13 copies · chains A, B
- PGO · S-1,2-propanediol · additive · 10 copies · chains A, B
- BU1 · 1,4-butanediol · additive · 6 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1008 | 0.81 | 0.82 | 95 | HEZ, BU1, PGO |
| 2 | 55 | 0.65 | 0.94 | 17 | empty |
| 3 | 324 | 0.54 | 0.74 | 44 | empty |
Interfaces
1 interface between chains.
- A–B · 660 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4EGW · The structure of the soluble domain of CorA from Methanocaldococcus jannaschii · the same entry in another collection · chain A against A, 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 A against A, TM-score 0.95
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 4EGW · PDBe 4EGW · UniProt Q58439
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