MolNFT v1 · #33460 · protein
Dectin-1 in complex with beta-glucan
2CL8: “Dectin-1 in complex with beta-glucan”. X-ray diffraction, 3 ligands (BGC, CA, CL), 1 pocket (best druggability 0.66). MolNFT v1 #33460 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2CL8
- Type
- protein
- Length
- 256 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dectin-1
- UniProt
- Q6QLQ4
- Ligands
- BGC, CA, CL
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dectin-1 | protein | 128 | 20% helix, 30% strand | Q6QLQ4 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 3 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 259 | 0.66 | 0.83 | 43 | BGC, CL |
Interfaces
1 interface between chains.
- A–B · 842 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 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 Q6QLQ4
- Elsewhere: RCSB PDB 2CL8 · PDBe 2CL8 · UniProt Q6QLQ4
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