Research workbench
Cholesterol esterase (candida cylindracea) crystal structure at 1.4A resolution
Analyse Cholesterol esterase (candida cylindracea) crystal structure at 1.4A resolution in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1LLF
- Type
- protein
- Length
- 1,068 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase 3
- EC
- 3.1.1.3
- UniProt
- P32947
- Ligands
- F23, NAG
- Pockets
- 9 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lipase 3 (EC 3.1.1.3) | protein | 534 | 38% helix, 16% strand | P32947 |
Ligands and binding sites
- F23 · Tricosanoic acid · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 438 | 0.72 | 0.82 | 59 | F23 |
| 2 | 427 | 0.72 | 0.82 | 60 | F23 |
| 3 | 94 | 0.43 | 0.78 | 18 | empty |
| 4 | 91 | 0.41 | 0.77 | 16 | empty |
| 5 | 163 | 0.40 | 0.72 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 655 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 4 glycan (disulfide, N-glycosylation).
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 P32947
- Elsewhere: RCSB PDB 1LLF · PDBe 1LLF · UniProt P32947
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