Research workbench
Novel fold of vira, a type III secretion system effector protein from shigella flexneri
Analyse Novel fold of vira, a type III secretion system effector protein from shigella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EE1
- Type
- protein
- Length
- 682 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Effector protein vira
- EC
- 3.4.22.-
- UniProt
- Q7BU69
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Effector protein vira (EC 3.4.22.-) | protein | 341 | 32% helix, 24% strand | Q7BU69 |
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1109 | 0.82 | 0.84 | 102 | empty |
| 2 | 222 | 0.62 | 0.81 | 31 | empty |
| 3 | 231 | 0.60 | 0.80 | 35 | empty |
| 4 | 109 | 0.48 | 0.80 | 28 | empty |
| 5 | 91 | 0.40 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 916 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 3EE1 · Novel fold of VirA, a type III secretion system effector protein from Shigella flexneri · the same entry in another collection · chain A against A, TM-score 1.00
- Q7BU69 · AlphaFold monomer V2.0 prediction for cysteine protease-like vira (Q7BU69) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q7BU69
- Elsewhere: RCSB PDB 3EE1 · PDBe 3EE1 · UniProt Q7BU69
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