MolNFT v1 · #151553 · protein
Hmg-CoA reductase from methanothermococcus thermolithotrophicus apo form at 2.4 a resolution
6HR7: “Hmg-CoA reductase from methanothermococcus thermolithotrophicus apo form at 2.4 a resolution”. X-ray diffraction, 3 ligands (NA, SO4, CL), 6 pockets (best druggability 0.64). MolNFT v1 #151553 on GenesisL1: 3D structure, binding…
- PDB
- 6HR7
- Type
- protein
- Length
- 791 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hmg-CoA reductase
- EC
- 1.1.1.34
- Ligands
- NA, SO4, CL
- Pockets
- 6 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hmg-CoA reductase (EC 1.1.1.34) | protein | 396 | 48% helix, 26% strand | — |
| B | Hmg-CoA reductase (EC 1.1.1.34) | protein | 395 | 47% helix, 26% strand | — |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- CL · Chloride ion · ion · chains B
- GOL · Glycerol · additive · 4 copies · chains A, B
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · 2 copies · chains A, B
- P6G · Hexaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 306 | 0.64 | 0.80 | 30 | empty |
| 2 | 264 | 0.58 | 0.78 | 27 | empty |
| 3 | 126 | 0.54 | 0.82 | 21 | SO4 |
| 4 | 164 | 0.53 | 0.80 | 32 | SO4 |
| 5 | 97 | 0.40 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 4961 Ų buried · 112 hydrogen bonds · protein-protein
Compared structures
- 6HR7 · HMG-CoA reductase from Methanothermococcus thermolithotrophicus apo form at 2.4 A… · 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
- Elsewhere: RCSB PDB 6HR7 · PDBe 6HR7
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