MolNFT v1 · #53187 · protein
Structural basis for substrate recognition in the enzymatic component of ADP-ribosyltransferase toxin cdta from clostridium difficile
2WN4 · ADP-ribosyltransferase enzymatic component: “Structural basis for substrate recognition in the enzymatic component of ADP-ribosyltransferase toxin cdta…”. X-ray diffraction, 4 pockets (best druggability 0.56). MolNFT v1 #53187 on…
- PDB
- 2WN4
- Type
- protein
- Length
- 391 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ADP-ribosyltransferase enzymatic component
- UniProt
- Q9KH42
- Pockets
- 4 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ADP-ribosyltransferase enzymatic component | protein | 391 | 37% helix, 28% strand | Q9KH42 |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.56 | 0.77 | 40 | empty |
| 2 | 247 | 0.54 | 0.77 | 43 | empty |
| 3 | 253 | 0.53 | 0.76 | 34 | empty |
| 4 | 54 | 0.28 | 0.74 | 18 | empty |
Compared structures
- 2WN4 · Structural Basis for Substrate Recognition in the Enzymatic Component of… · 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 Q9KH42
- Elsewhere: RCSB PDB 2WN4 · PDBe 2WN4 · UniProt Q9KH42
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