Research workbench
CD1a-lipid binary complex
Analyse CD1a-lipid binary complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NUX
- Type
- protein
- Length
- 374 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.2
- Source
- Homo sapiens
- Molecule
- CD1A protein; Beta-2-microglobulin
- UniProt
- Q8N5T0, P61769
- Ligands
- FOF
- Pockets
- 4 · best druggability 0.85
Structure
x-ray diffraction · resolution 2.2 · 2 distinct chains · 19% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CD1A protein | protein | 270 | 27% helix, 40% strand | Q8N5T0 |
| B | Beta-2-microglobulin | protein | 104 | 0% helix, 47% strand | P61769 |
Ligands and binding sites
- FOF · (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol · ligand · chains A
- EDO · 1,2-ethanediol · additive · 3 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 | 741 | 0.85 | 0.88 | 48 | FOF |
| 2 | 348 | 0.61 | 0.78 | 40 | EDO |
| 3 | 112 | 0.41 | 0.77 | 25 | EDO |
| 4 | 80 | 0.38 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1406 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
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 Q8N5T0
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 6NUX · PDBe 6NUX · UniProt Q8N5T0 · UniProt P61769
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