Research workbench
Cholera toxin A1 subunit bound to ARF6(Q67L)
Analyse Cholera toxin A1 subunit bound to ARF6(Q67L) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2A5G
- Type
- protein
- Length
- 347 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ADP-ribosylation factor 6; Cholera enterotoxin, a chain
- EC
- 2.4.2.36
- UniProt
- P62330, P01555
- Ligands
- GTP, MG, NA
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ADP-ribosylation factor 6 | protein | 162 | 32% helix, 26% strand | P62330 |
| B | Cholera enterotoxin, a chain (EC 2.4.2.36) | protein | 185 | 35% helix, 23% strand | P01555 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- NA · Sodium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 331 | 0.61 | 0.79 | 37 | empty |
| 2 | 186 | 0.55 | 0.79 | 32 | empty |
| 3 | 118 | 0.46 | 0.79 | 27 | MG, GTP |
Interfaces
1 interface between chains.
- A–B · 908 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2A5G · Cholera toxin A1 subunit bound to ARF6(Q67L) · the same entry in another collection · chain A against A, TM-score 1.00
- P62330 · AlphaFold monomer V2.0 prediction for ADP-ribosylation factor 6 (P62330) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P01555 · AlphaFold monomer V2.0 prediction for cholera enterotoxin subunit a (P01555) · a predicted model of the same protein · chain B against A, TM-score 0.91
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 P62330
- Every structure of UniProt P01555
- Elsewhere: RCSB PDB 2A5G · PDBe 2A5G · UniProt P62330 · UniProt P01555
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