Research workbench
Crystal structure of the biofilm forming subunit of the E. COLI common pilus: full length domain swapped dimer of ecpa
Analyse Crystal structure of the biofilm forming subunit of the E. COLI common pilus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QS2
- Type
- protein
- Length
- 346 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fimbrillin matb homolog
- UniProt
- Q8CWB9
- Ligands
- IOD
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 9% helix, 60% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fimbrillin matb homolog | protein | 173 | 9% helix, 60% strand | Q8CWB9 |
Ligands and binding sites
- IOD · Iodide ion · ion · 21 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 191 | 0.54 | 0.79 | 28 | IOD |
| 2 | 117 | 0.49 | 0.80 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 1352 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3QS2 · Crystal structure of the biofilm forming subunit of the E. coli common pilus: full length… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8CWB9 · AlphaFold monomer V2.0 prediction for common pilus major fimbrillin subunit ecpa (Q8CWB9) · a predicted model of the same protein · chain B against A, TM-score 0.86
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 Q8CWB9
- Elsewhere: RCSB PDB 3QS2 · PDBe 3QS2 · UniProt Q8CWB9
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