Research workbench
AFTMEM16 reconstituted in nanodiscs in the presence of CA2+ and ceramide 24:0
Analyse AFTMEM16 reconstituted in nanodiscs in the presence of CA2+ and ceramide 24:0 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6E1O
- Type
- protein
- Length
- 1,182 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Plasma membrane channel protein (AQY1), putative
- UniProt
- Q4WA18
- Ligands
- D12, D10, 8K6, CA
- Pockets
- 20 · best druggability 0.76
Structure
electron microscopy · 1 distinct chain · 60% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Plasma membrane channel protein (AQY1), putative | protein | 591 | 60% helix, 4% strand | Q4WA18 |
Ligands and binding sites
- D12 · Dodecane · ligand · 8 copies · chains B, A
- D10 · Decane · ligand · 2 copies · chains B, A
- 8K6 · Octadecane · ligand · 2 copies · chains B, A
- CA · Calcium ion · metal · 4 copies · chains B, A
- HEX · Hexane · additive · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 699 | 0.76 | 0.81 | 64 | empty |
| 2 | 462 | 0.74 | 0.83 | 63 | empty |
| 3 | 707 | 0.74 | 0.79 | 76 | D12, D10, HEX |
| 4 | 829 | 0.71 | 0.76 | 71 | CA |
| 5 | 798 | 0.70 | 0.76 | 63 | CA |
Interfaces
1 interface between chains.
- B–A · 3089 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6E1O · afTMEM16 reconstituted in nanodiscs in the presence of Ca2+ and ceramide 24:0 · the same entry in another collection · chain B against B, 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 Q4WA18
- Elsewhere: RCSB PDB 6E1O · PDBe 6E1O · UniProt Q4WA18
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