MolNFT v1 · #182057 · protein
Bovine sigma-2 receptor bound to cholesterol
7MFI · Sigma intracellular receptor 2: “Bovine sigma-2 receptor bound to cholesterol”. X-ray diffraction, 1 ligand (CLR), 11 pockets (best druggability 0.73). MolNFT v1 #182057 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7MFI
- Type
- protein
- Length
- 650 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sigma intracellular receptor 2
- UniProt
- Q3MHW7
- Ligands
- CLR
- Pockets
- 11 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sigma intracellular receptor 2 | protein | 164 | 74% helix, 0% strand | Q3MHW7 |
| B | Sigma intracellular receptor 2 | protein | 164 | 77% helix, 0% strand | Q3MHW7 |
| C | Sigma intracellular receptor 2 | protein | 159 | 77% helix, 0% strand | Q3MHW7 |
| D | Sigma intracellular receptor 2 | protein | 163 | 75% helix, 0% strand | Q3MHW7 |
Ligands and binding sites
- CLR · Cholesterol · ligand · 4 copies · chains A, B, C, D
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 20 copies · chains A, B, D, C
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 158 | 0.73 | 0.90 | 19 | CLR |
| 2 | 196 | 0.71 | 0.88 | 23 | CLR |
| 3 | 177 | 0.71 | 0.88 | 24 | CLR |
| 4 | 206 | 0.71 | 0.87 | 25 | CLR |
| 5 | 445 | 0.59 | 0.74 | 43 | OLC |
Interfaces
3 interfaces between chains.
- A–B · 854 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 826 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 260 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
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 Q3MHW7
- Elsewhere: RCSB PDB 7MFI · PDBe 7MFI · UniProt Q3MHW7
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