Research workbench
Crystal structure of virulence protein STM3117 from salmonella typhimurium. northeast structural genomics consortium target id STR274
Analyse Crystal structure of virulence protein STM3117 from salmonella typhimurium.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HNQ
- Type
- protein
- Length
- 504 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Virulence protein STM3117
- UniProt
- Q8ZM36
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Virulence protein STM3117 | protein | 126 | 16% helix, 46% strand | Q8ZM36 |
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.73 | 0.99 | 23 | empty |
| 2 | 222 | 0.73 | 0.88 | 28 | empty |
| 3 | 68 | 0.72 | 0.97 | 22 | empty |
| 4 | 74 | 0.66 | 0.93 | 19 | empty |
| 5 | 237 | 0.63 | 0.82 | 40 | empty |
Interfaces
4 interfaces between chains.
- C–D · 2651 Ų buried · 44 hydrogen bonds · protein-protein
- A–B · 2607 Ų buried · 50 hydrogen bonds · protein-protein
- A–C · 371 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 217 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3HNQ · Crystal Structure of Virulence protein STM3117 from Salmonella typhimurium. Northeast… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8ZM36 · AlphaFold monomer V2.0 prediction for virulence protein STM3117 (Q8ZM36) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q8ZM36
- Elsewhere: RCSB PDB 3HNQ · PDBe 3HNQ · UniProt Q8ZM36
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