MolNFT v1 · #96819 · protein
Crystal structure of the effector TAE4 from salmonella typhimurium in complex with the immunity TAI4 from enterobacter cloacae
4JUR · Putative cytoplasmic protein: “Crystal structure of the effector TAE4 from salmonella typhimurium in complex with the immunity TAI4 from…”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #96819 on GenesisL1: 3D…
- 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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