MolNFT v1 · #84089 · protein
Structure of the nonameric bacterial amyloid secretion channel csgg
3X2R: “Structure of the nonameric bacterial amyloid secretion channel csgg”. X-ray diffraction, 20 pockets (best druggability 0.70). MolNFT v1 #84089 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3X2R
- Type
- protein
- Length
- 1,731 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Csgg
- UniProt
- I1ZTN7
- Pockets
- 20 · best druggability 0.70
Structure
x-ray diffraction · 6 distinct chains · 22% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, F | Csgg | protein | 189 | 23% helix, 44% strand | I1ZTN7 |
| A | Csgg | protein | 196 | 22% helix, 42% strand | I1ZTN7 |
| B, I | Csgg | protein | 190 | 23% helix, 44% strand | I1ZTN7 |
| C, E | Csgg | protein | 198 | 22% helix, 42% strand | I1ZTN7 |
| G | Csgg | protein | 190 | 23% helix, 44% strand | I1ZTN7 |
| H | Csgg | protein | 191 | 23% helix, 44% strand | I1ZTN7 |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 281 | 0.70 | 0.85 | 61 | empty |
| 2 | 259 | 0.68 | 0.84 | 61 | empty |
| 3 | 95 | 0.68 | 0.91 | 23 | empty |
| 4 | 88 | 0.67 | 0.91 | 20 | empty |
| 5 | 798 | 0.67 | 0.74 | 68 | empty |
Interfaces
9 interfaces between chains.
- C–G · 2224 Ų buried · 49 hydrogen bonds · protein-protein
- E–H · 2220 Ų buried · 49 hydrogen bonds · protein-protein
- B–E · 2207 Ų buried · 48 hydrogen bonds · protein-protein
- D–F · 2194 Ų buried · 47 hydrogen bonds · protein-protein
- A–B · 2178 Ų buried · 46 hydrogen bonds · protein-protein
Compared structures
- 3X2R · Structure of the nonameric bacterial amyloid secretion channel CsgG · the same entry in another collection · chain D against D, 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 I1ZTN7
- Elsewhere: RCSB PDB 3X2R · PDBe 3X2R · UniProt I1ZTN7
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