Research workbench
Bovine sigma-2 receptor bound to Z1241145220
Analyse Bovine sigma-2 receptor bound to Z1241145220 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7M95
- Type
- protein
- Length
- 331 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sigma intracellular receptor 2
- UniProt
- Q3MHW7
- Ligands
- ZNC, CLR
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 74% 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 | 167 | 74% helix, 0% strand | Q3MHW7 |
Ligands and binding sites
- ZNC · 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine · ligand · 2 copies · chains A, B
- CLR · Cholesterol · ligand · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 141 | 0.71 | 0.90 | 20 | ZNC |
| 2 | 158 | 0.69 | 0.88 | 22 | ZNC |
| 3 | 276 | 0.52 | 0.74 | 35 | empty |
| 4 | 161 | 0.49 | 0.76 | 18 | OLC |
| 5 | 132 | 0.47 | 0.77 | 15 | OLC |
Interfaces
1 interface between chains.
- A–B · 883 Ų buried · 4 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 7M95 · PDBe 7M95 · UniProt Q3MHW7
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