MolNFT v1 · #64393 · protein
Crystal structure of the major pseudopilin from the type 2 secretion system of enterohaemorrhagic escherichia COLI
3G20 · Type II secretion protein: “Crystal structure of the major pseudopilin from the type 2 secretion system of enterohaemorrhagic escherichia…”. X-ray diffraction, 2 ligands (NA, CA), 1 pocket (best druggability 0.52). MolNFT v1 #64393…
- PDB
- 3G20
- Type
- protein
- Length
- 233 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type II secretion protein
- UniProt
- Q7BSV8
- Ligands
- NA, CA
- Pockets
- 1 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Type II secretion protein | protein | 114 | 33% helix, 10% strand | Q7BSV8 |
| B | Type II secretion protein | protein | 119 | 31% helix, 9% strand | Q7BSV8 |
Ligands and binding sites
- NA · Sodium ion · metal · 3 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 282 | 0.52 | 0.75 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 122 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3G20 · Crystal structure of the major pseudopilin from the type 2 secretion system 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 Q7BSV8
- Elsewhere: RCSB PDB 3G20 · PDBe 3G20 · UniProt Q7BSV8
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