Research workbench
Probing the roles of two tryptophans surrounding the unique zinc coordination site in lipase family I.5
Analyse Probing the roles of two tryptophans surrounding the unique zinc coordination… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5CE5
- Type
- protein
- Length
- 387 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triacylglycerol lipase
- EC
- 3.1.1.3
- UniProt
- Q59260
- Ligands
- P15, CA, ZN
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triacylglycerol lipase (EC 3.1.1.3) | protein | 387 | 41% helix, 15% strand | Q59260 |
Ligands and binding sites
- P15 · 2,5,8,11,14,17-hexaoxanonadecan-19-ol · ligand · chains A
- CA · Calcium ion · metal · chains A
- ZN · Zinc ion · metal · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 copies · chains A
- 1PE · Pentaethylene glycol · additive · chains A
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 | 409 | 0.72 | 0.82 | 45 | P15, 1PE, MPD |
| 2 | 229 | 0.59 | 0.80 | 26 | empty |
| 3 | 105 | 0.44 | 0.79 | 18 | empty |
| 4 | 103 | 0.37 | 0.75 | 16 | empty |
Compared structures
- 5CE5 · Probing the roles of two tryptophans surrounding the unique zinc coordination site in… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q59260
- Elsewhere: RCSB PDB 5CE5 · PDBe 5CE5 · UniProt Q59260
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