MolNFT v1 · #156849 · protein
Crystal structure of 1-deoxy-D-xylulose-5-phosphate reductoisomerase from staphylococcus schleiferi, apoenzyme
6MH4 · 1-deoxy-D-xylulose 5-phosphate reductoisomerase: “Crystal structure of 1-deoxy-D-xylulose-5-phosphate reductoisomerase from staphylococcus schleiferi, apoenzyme”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability…
- PDB
- 6MH4
- Type
- protein
- Length
- 742 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
- A0A0K1A7V6
- Ligands
- SO4
- Pockets
- 9 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 49% 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 | 374 | 50% helix, 15% strand | A0A0K1A7V6 |
| B | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (EC 1.1.1.267) | protein | 368 | 48% helix, 16% strand | A0A0K1A7V6 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 663 | 0.68 | 0.77 | 86 | SO4 |
| 2 | 221 | 0.67 | 0.85 | 24 | empty |
| 3 | 357 | 0.62 | 0.78 | 42 | SO4 |
| 4 | 183 | 0.55 | 0.80 | 28 | empty |
| 5 | 151 | 0.47 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 415 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6MH4 · Crystal Structure of 1-deoxy-D-xylulose-5-phosphate reductoisomerase from Staphylococcus… · 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 A0A0K1A7V6
- Elsewhere: RCSB PDB 6MH4 · PDBe 6MH4 · UniProt A0A0K1A7V6
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