Research workbench
Covalent inhibitor of LYPLAL1
Analyse Covalent inhibitor of LYPLAL1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5KRE
- Type
- protein
- Length
- 224 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysophospholipase-like protein 1
- EC
- 3.1.2.-
- UniProt
- Q5VWZ2
- Ligands
- 6WG, NO3
- Pockets
- 1 · best druggability 0.41
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysophospholipase-like protein 1 (EC 3.1.2.-) | protein | 224 | 38% helix, 20% strand | Q5VWZ2 |
Ligands and binding sites
- 6WG · (2~{R})-2-phenylpiperidine-1-carbaldehyde · ligand · chains A
- NO3 · Nitrate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.41 | 0.81 | 12 | 6WG, NO3 |
Modifications
Observed in the structure: 1 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 Q5VWZ2
- Elsewhere: RCSB PDB 5KRE · PDBe 5KRE · UniProt Q5VWZ2
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