Research workbench
Catalytic fragment of cholix toxin from vibrio cholerae in complex with inhibitor gp-P
Analyse Catalytic fragment of cholix toxin from vibrio cholerae in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KI4
- Type
- protein
- Length
- 199 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cholix toxin
- EC
- 2.4.2.36
- UniProt
- Q5EK40
- Ligands
- G9P
- Pockets
- 1 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cholix toxin (EC 2.4.2.36) | protein | 199 | 36% helix, 25% strand | Q5EK40 |
Ligands and binding sites
- G9P · (11bR)-3-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 132 | 0.44 | 0.76 | 24 | G9P |
Compared structures
- 3KI4 · Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with inhibitor GP-P · the same entry in another collection · chain A against A, TM-score 1.00
- Q5EK40 · AlphaFold monomer V2.0 prediction for cholix toxin (Q5EK40) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q5EK40
- Elsewhere: RCSB PDB 3KI4 · PDBe 3KI4 · UniProt Q5EK40
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