MolNFT v1 · #5804 · protein
Triacylglycerol LIPASE/COLIPASE complex
1ETH · Triacylglycerol acyl-hydrolase: “Triacylglycerol LIPASE/COLIPASE complex”. X-ray diffraction, 3 ligands (BMA, NAG, CA), 10 pockets (best druggability 0.67). MolNFT v1 #5804 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1ETH
- Type
- protein
- Length
- 1,070 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triacylglycerol acyl-hydrolase; Colipase
- EC
- 3.1.1.3
- UniProt
- P00591, P02703
- Ligands
- BMA, NAG, CA
- Pockets
- 10 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Triacylglycerol acyl-hydrolase (EC 3.1.1.3) | protein | 448 | 23% helix, 28% strand | P00591 |
| B, D | Colipase | protein | 87 | 6% helix, 28% strand | P02703 |
Ligands and binding sites
- BMA · beta-D-mannopyranose · sugar · 6 copies · chains A, C
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, C
- CA · Calcium ion · metal · 2 copies · chains A, C
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 4 copies · chains A, C
- BME · Beta-mercaptoethanol · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 736 | 0.67 | 0.75 | 87 | empty |
| 2 | 672 | 0.65 | 0.75 | 67 | empty |
| 3 | 614 | 0.64 | 0.75 | 62 | empty |
| 4 | 144 | 0.53 | 0.80 | 21 | C8E |
| 5 | 136 | 0.52 | 0.80 | 19 | C8E |
Interfaces
3 interfaces between chains.
- A–B · 855 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 852 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 288 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 22 disulfide, 2 covalent, 2 glycan (disulfide, additive adduct, N-glycosylation).
Compared structures
- 1ETH · Triacylglycerol LIPASE/COLIPASE complex · the same entry in another collection · chain A against A, TM-score 1.00
- P00591 · AlphaFold monomer V2.0 prediction for pancreatic triacylglycerol lipase (P00591) · a predicted model of the same protein · chain A against A, TM-score 0.95
- P02703 · AlphaFold monomer V2.0 prediction for colipase (P02703) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 P00591
- Every structure of UniProt P02703
- Elsewhere: RCSB PDB 1ETH · PDBe 1ETH · UniProt P00591 · UniProt P02703
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