MolNFT v1 · #66349 · protein
Crystal structure of virulence protein STM3117 from salmonella typhimurium. northeast structural genomics consortium target id STR274
3HNQ: “Crystal structure of virulence protein STM3117 from salmonella typhimurium. northeast structural genomics…”. X-ray diffraction, 7 pockets (best druggability 0.73). MolNFT v1 #66349 on GenesisL1: 3D structure, binding sites and…
- 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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