Research workbench
The biochemical and structural basis for feedback inhibition of mevalonate kinase and isoprenoid metabolism
Analyse The biochemical and structural basis for feedback inhibition of mevalonate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2R3V
- Type
- protein
- Length
- 1,557 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mevalonate kinase
- EC
- 2.7.1.36
- UniProt
- Q03426
- Pockets
- 16 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Mevalonate kinase (EC 2.7.1.36) | protein | 390 | 43% helix, 21% strand | Q03426 |
| B | Mevalonate kinase (EC 2.7.1.36) | protein | 388 | 45% helix, 20% strand | Q03426 |
| D | Mevalonate kinase (EC 2.7.1.36) | protein | 389 | 42% helix, 20% strand | Q03426 |
Pockets
16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 664 | 0.73 | 0.80 | 70 | empty |
| 2 | 1070 | 0.73 | 0.76 | 78 | empty |
| 3 | 527 | 0.70 | 0.79 | 54 | empty |
| 4 | 601 | 0.70 | 0.78 | 59 | empty |
| 5 | 633 | 0.69 | 0.77 | 74 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1023 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 999 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 817 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 810 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 183 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2R3V · The Biochemical and Structural Basis for Feedback Inhibition of Mevalonate Kinase and… · the same entry in another collection · chain A against A, TM-score 1.00
- Q03426 · AlphaFold monomer V2.0 prediction for mevalonate kinase (Q03426) · a predicted model of the same protein · chain A 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 Q03426
- Elsewhere: RCSB PDB 2R3V · PDBe 2R3V · UniProt Q03426
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