Research workbench
Crystal structure of mtbmgl K74A (substrate analog complex)
Analyse Crystal structure of mtbmgl K74A (substrate analog complex) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7P0Y
- Type
- protein
- Length
- 549 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Monoacylglycerol lipase
- EC
- 3.1.1.23
- UniProt
- O07427
- Ligands
- 4E0
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Monoacylglycerol lipase (EC 3.1.1.23) | protein | 278 | 43% helix, 21% strand | O07427 |
| B | Monoacylglycerol lipase (EC 3.1.1.23) | protein | 271 | 41% helix, 19% strand | O07427 |
Ligands and binding sites
- 4E0 · 1-[butyl(fluoranyl)phosphoryl]oxyhexadecane · ligand · 2 copies · chains A, B
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 | 218 | 0.75 | 0.90 | 36 | 4E0 |
| 2 | 247 | 0.74 | 0.88 | 43 | 4E0 |
| 3 | 302 | 0.55 | 0.76 | 37 | empty |
| 4 | 208 | 0.51 | 0.77 | 36 | empty |
| 5 | 67 | 0.33 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 270 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
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 O07427
- Elsewhere: RCSB PDB 7P0Y · PDBe 7P0Y · UniProt O07427
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