Research workbench
Crystal structure of human monoacylglycerol lipase ABHD6 in complex with oleic acid and octyl glucoside
Analyse Crystal structure of human monoacylglycerol lipase ABHD6 in complex with oleic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7OTS
- Type
- protein
- Length
- 576 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Monoacylglycerol lipase ABHD6
- EC
- 3.1.1.23
- UniProt
- Q9BV23
- Ligands
- OLA, SO4
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Monoacylglycerol lipase ABHD6 (EC 3.1.1.23) | protein | 292 | 45% helix, 16% strand | Q9BV23 |
| B | Monoacylglycerol lipase ABHD6 (EC 3.1.1.23) | protein | 284 | 46% helix, 17% strand | Q9BV23 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains B
- BOG · octyl beta-D-glucopyranoside · additive · chains A
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 | 658 | 0.78 | 0.83 | 65 | OLA, GOL |
| 2 | 668 | 0.77 | 0.82 | 64 | BOG, OLA |
| 3 | 557 | 0.64 | 0.75 | 68 | empty |
| 4 | 73 | 0.31 | 0.74 | 18 | empty |
| 5 | 58 | 0.30 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 475 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 7OTS · Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9BV23 · AlphaFold monomer V2.0 prediction for monoacylglycerol lipase ABHD6 (Q9BV23) · a predicted model of the same protein · chain B 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 Q9BV23
- Elsewhere: RCSB PDB 7OTS · PDBe 7OTS · UniProt Q9BV23
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