Research workbench
Crystal structure of dox-P reductoisomerase in complex with magnesium
Analyse Crystal structure of dox-P reductoisomerase in complex with magnesium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZQE
- Type
- protein
- Length
- 800 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1-deoxy-D-xylulose 5-phosphate reductoisomerase
- EC
- 1.1.1.267
- UniProt
- A0A076U3E6
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (EC 1.1.1.267) | protein | 400 | 54% helix, 15% strand | A0A076U3E6 |
| B | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (EC 1.1.1.267) | protein | 400 | 54% helix, 15% strand | A0A076U3E6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 296 | 0.69 | 0.83 | 33 | SO4 |
| 2 | 474 | 0.65 | 0.78 | 66 | SO4 |
| 3 | 442 | 0.63 | 0.77 | 63 | SO4 |
| 4 | 139 | 0.58 | 0.83 | 22 | empty |
| 5 | 112 | 0.54 | 0.82 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1791 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 4ZQE · Crystal structure of DOX-P Reductoisomerase in complex with magnesium · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A076U3E6
- Elsewhere: RCSB PDB 4ZQE · PDBe 4ZQE · UniProt A0A076U3E6
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