MolNFT v1 · #20208 · protein
Hmg-CoA reductase from P. mevalonii, native structure at 2.2 ångströms resolution.
1R7I · 3-hydroxy-3-methylglutaryl-coenzyme a reductase: “Hmg-CoA reductase from P. mevalonii, native structure at 2.2 ångströms resolution.”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.68). MolNFT v1 #20208 on…
- PDB
- 1R7I
- Type
- protein
- Length
- 747 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-hydroxy-3-methylglutaryl-coenzyme a reductase
- EC
- 1.1.1.88
- UniProt
- P13702
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-hydroxy-3-methylglutaryl-coenzyme a reductase (EC 1.1.1.88) | protein | 372 | 48% helix, 22% strand | P13702 |
| B | 3-hydroxy-3-methylglutaryl-coenzyme a reductase (EC 1.1.1.88) | protein | 375 | 47% helix, 22% strand | P13702 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 446 | 0.68 | 0.80 | 53 | SO4 |
| 2 | 432 | 0.66 | 0.79 | 45 | GOL, SO4 |
| 3 | 67 | 0.34 | 0.76 | 15 | empty |
| 4 | 59 | 0.28 | 0.74 | 14 | empty |
| 5 | 54 | 0.27 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 4732 Ų buried · 68 hydrogen bonds · protein-protein
Compared structures
- 1R7I · HMG-CoA Reductase from P. mevalonii, native structure at 2.2 angstroms resolution. · the same entry in another collection · chain A against A, TM-score 1.00
- P13702 · AlphaFold monomer V2.0 prediction for 3-hydroxy-3-methylglutaryl- coenzyme a reductase… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P13702
- Elsewhere: RCSB PDB 1R7I · PDBe 1R7I · UniProt P13702
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