MolNFT v1 · #49957 · protein
The biochemical and structural basis for feedback inhibition of mevalonate kinase and isoprenoid metabolism
2R42: “The biochemical and structural basis for feedback inhibition of mevalonate kinase and isoprenoid metabolism”. X-ray diffraction, 2 ligands (FPS, MG), 3 pockets (best druggability 0.66). MolNFT v1 #49957 on GenesisL1: 3D structure…
- PDB
- 2R42
- Type
- protein
- Length
- 383 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mevalonate kinase
- EC
- 2.7.1.36
- UniProt
- P17256
- Ligands
- FPS, MG
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mevalonate kinase (EC 2.7.1.36) | protein | 383 | 41% helix, 20% strand | P17256 |
Ligands and binding sites
- FPS · S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] trihydrogen thiodiphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 470 | 0.66 | 0.78 | 52 | MG, FPS |
| 2 | 80 | 0.38 | 0.77 | 18 | empty |
| 3 | 55 | 0.32 | 0.77 | 14 | empty |
Compared structures
- 2R42 · 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
- P17256 · AlphaFold monomer V2.0 prediction for mevalonate kinase (P17256) · 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 P17256
- Elsewhere: RCSB PDB 2R42 · PDBe 2R42 · UniProt P17256
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