Research workbench
Crystal structure of the effector TAE4 from salmonella typhimurium in complex with the immunity TAI4 from enterobacter cloacae
Analyse Crystal structure of the effector TAE4 from salmonella typhimurium in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JUR
- Type
- protein
- Length
- 2,056 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative cytoplasmic protein; Uncharacterized protein
- EC
- 3.5.1.4
- UniProt
- Q93IS4, D5C6F7
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 6 distinct chains · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Putative cytoplasmic protein (EC 3.5.1.4) | protein | 161 | 34% helix, 21% strand | Q93IS4 |
| B, D, E, F, G | Putative cytoplasmic protein (EC 3.5.1.4) | protein | 160 | 35% helix, 22% strand | Q93IS4 |
| H | Putative cytoplasmic protein (EC 3.5.1.4) | protein | 159 | 35% helix, 22% strand | Q93IS4 |
| I, K, L, N, P | Uncharacterized protein | protein | 97 | 66% helix, 1% strand | D5C6F7 |
| J, M | Uncharacterized protein | protein | 97 | 67% helix, 1% strand | D5C6F7 |
| O | Uncharacterized protein | protein | 96 | 65% helix, 1% strand | D5C6F7 |
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 527 | 0.84 | 0.90 | 70 | empty |
| 2 | 471 | 0.82 | 0.90 | 58 | empty |
| 3 | 962 | 0.75 | 0.78 | 90 | empty |
| 4 | 1136 | 0.73 | 0.76 | 101 | empty |
| 5 | 1149 | 0.73 | 0.76 | 95 | empty |
Interfaces
34 interfaces between chains.
- J–N · 1549 Ų buried · 13 hydrogen bonds · protein-protein
- M–O · 1488 Ų buried · 14 hydrogen bonds · protein-protein
- K–L · 1430 Ų buried · 14 hydrogen bonds · protein-protein
- I–P · 1428 Ų buried · 12 hydrogen bonds · protein-protein
- B–J · 670 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 26 modified, 16 disulfide (engineered, disulfide).
Compared structures
- 4JUR · Crystal structure of the effector Tae4 from Salmonella typhimurium in complex with the… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q93IS4
- Every structure of UniProt D5C6F7
- Elsewhere: RCSB PDB 4JUR · PDBe 4JUR · UniProt Q93IS4 · UniProt D5C6F7
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