MolNFT v1 · #49276 · protein
Crystal structure analysis of a 14 repeat C-terminal fragment of toxin tcda in clostridium difficile
2QJ6 · Toxin a: “Crystal structure analysis of a 14 repeat C-terminal fragment of toxin tcda in clostridium difficile”. X-ray diffraction, 5 pockets (best druggability 0.72). MolNFT v1 #49276 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2QJ6
- Type
- protein
- Length
- 634 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Toxin a
- UniProt
- P16154
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Toxin a | protein | 317 | 0% helix, 38% strand | P16154 |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 705 | 0.72 | 0.78 | 90 | empty |
| 2 | 61 | 0.52 | 0.87 | 20 | empty |
| 3 | 68 | 0.52 | 0.85 | 21 | empty |
| 4 | 121 | 0.42 | 0.76 | 24 | empty |
| 5 | 53 | 0.40 | 0.81 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 791 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2QJ6 · Crystal structure analysis of a 14 repeat C-terminal fragment of toxin TcdA in… · 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 P16154
- Elsewhere: RCSB PDB 2QJ6 · PDBe 2QJ6 · UniProt P16154
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