Research workbench
The 2.46 ångströms resolution structure of the pancreatic lipase colipase complex inhibited by a C11 alkyl phosphonate
Analyse The 2.46 ångströms resolution structure of the pancreatic lipase colipase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1LPB
- Type
- protein
- Length
- 534 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Colipase; Lipase
- EC
- 3.1.1.3
- UniProt
- P02703, P16233
- Ligands
- MUP, CA
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Colipase | protein | 85 | 11% helix, 29% strand | P02703 |
| B | Lipase (EC 3.1.1.3) | protein | 449 | 23% helix, 29% strand | P16233 |
Ligands and binding sites
- MUP · Methoxyundecylphosphinic acid · ligand · chains B
- CA · Calcium ion · metal · chains B
- BOG · octyl beta-D-glucopyranoside · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 664 | 0.66 | 0.75 | 67 | BOG |
| 2 | 154 | 0.51 | 0.79 | 21 | MUP |
| 3 | 104 | 0.36 | 0.74 | 21 | empty |
| 4 | 87 | 0.36 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 864 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 1LPB · The 2.46 ångströms resolution structure of the pancreatic lipase colipase complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P02703 · AlphaFold monomer V2.0 prediction for colipase (P02703) · a predicted model of the same protein · chain A against A, TM-score 0.97
- P16233 · AlphaFold monomer V2.0 prediction for pancreatic triacylglycerol lipase (P16233) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 P02703
- Every structure of UniProt P16233
- Elsewhere: RCSB PDB 1LPB · PDBe 1LPB · UniProt P02703 · UniProt P16233
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