MolNFT v1 · #120239 · protein
Crystal structure of C. perfringens iota-like enterotoxin cpile-a
5GTT · Binary enterotoxin of clostridium perfringens component a: “Crystal structure of C. perfringens iota-like enterotoxin cpile-a”. X-ray diffraction, 4 pockets (best druggability 0.64). MolNFT v1 #120239 on GenesisL1: 3D structure…
- PDB
- 5GTT
- Type
- protein
- Length
- 417 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Binary enterotoxin of clostridium perfringens component a
- UniProt
- X5I2D7
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Binary enterotoxin of clostridium perfringens component a | protein | 417 | 37% helix, 25% strand | X5I2D7 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 371 | 0.64 | 0.78 | 41 | EDO |
| 2 | 252 | 0.57 | 0.78 | 49 | empty |
| 3 | 167 | 0.48 | 0.77 | 26 | empty |
| 4 | 51 | 0.36 | 0.80 | 14 | empty |
Compared structures
- 5GTT · Crystal structure of C. perfringens iota-like enterotoxin CPILE-a · 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 X5I2D7
- Elsewhere: RCSB PDB 5GTT · PDBe 5GTT · UniProt X5I2D7
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