Research workbench
Crystal structure of pre-cleavage form of cysteine protease domain from vibrio cholerae rtxa toxin
Analyse Crystal structure of pre-cleavage form of cysteine protease domain from vibrio… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FZY
- Type
- protein
- Length
- 427 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rtx toxin rtxa
- UniProt
- Q9KS12
- Ligands
- IHP, UNX, CL
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rtx toxin rtxa | protein | 216 | 28% helix, 24% strand | Q9KS12 |
| B | Rtx toxin rtxa | protein | 211 | 24% helix, 26% strand | Q9KS12 |
Ligands and binding sites
- IHP · Inositol hexakisphosphate · ligand · 2 copies · chains A, B
- UNX · Unknown atom or ion · ion · 12 copies · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 172 | 0.56 | 0.81 | 27 | IHP |
| 2 | 169 | 0.55 | 0.81 | 28 | IHP |
Interfaces
1 interface between chains.
- A–B · 463 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 3FZY · Crystal Structure of Pre-cleavage Form of Cysteine Protease Domain from Vibrio cholerae… · the same entry in another collection · chain A against A, 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 Q9KS12
- Elsewhere: RCSB PDB 3FZY · PDBe 3FZY · UniProt Q9KS12
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