Research workbench
Structure of the core shigella flexneri type III secretion system export gate complex sctrst (SPA24/SPA9/SPA29).
Analyse Structure of the core shigella flexneri type III secretion system export gate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6R6B
- Type
- protein
- Length
- 1,452 residues
- Chains
- 10
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Surface presentation of antigens protein spap; Surface presentation of antigens protein…
- UniProt
- P0A1L3, P0A1M6, P0A1M4
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 7 distinct chains · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Surface presentation of antigens protein spap | protein | 189 | 65% helix, 0% strand | P0A1L3 |
| B | Surface presentation of antigens protein spap | protein | 171 | 67% helix, 0% strand | P0A1L3 |
| C | Surface presentation of antigens protein spap | protein | 169 | 69% helix, 0% strand | P0A1L3 |
| D | Surface presentation of antigens protein spap | protein | 168 | 69% helix, 0% strand | P0A1L3 |
| E | Surface presentation of antigens protein spap | protein | 170 | 73% helix, 0% strand | P0A1L3 |
| F | Surface presentation of antigens protein spar | protein | 245 | 64% helix, 0% strand | P0A1M6 |
| I, G, H, J | Surface presentation of antigens protein spaq | protein | 85 | 81% helix, 0% strand | P0A1M4 |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 351 | 0.85 | 0.94 | 55 | empty |
| 2 | 564 | 0.84 | 0.89 | 53 | empty |
| 3 | 555 | 0.83 | 0.88 | 45 | empty |
| 4 | 573 | 0.83 | 0.88 | 44 | empty |
| 5 | 646 | 0.80 | 0.85 | 86 | empty |
Interfaces
35 interfaces between chains.
- E–F · 2291 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 2238 Ų buried · 2 hydrogen bonds · protein-protein
- A–F · 2166 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 2081 Ų buried · 1 hydrogen bond · protein-protein
- D–E · 2008 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6R6B · Structure of the core Shigella flexneri type III secretion system export gate complex… · the same entry in another collection · chain J against J, TM-score 1.00
- P0A1L3 · AlphaFold monomer V2.0 prediction for surface presentation of antigens protein spap… · a predicted model of the same protein · chain E against A, TM-score 0.96
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 P0A1L3
- Every structure of UniProt P0A1M6
- Every structure of UniProt P0A1M4
- Elsewhere: RCSB PDB 6R6B · PDBe 6R6B · UniProt P0A1L3 · UniProt P0A1M6 · UniProt P0A1M4
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