Research workbench
Crystal structure of the tors sensor domain - tort complex in the absence of isopropanol
Analyse Crystal structure of the tors sensor domain - tort complex in the absence of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3O1J
- Type
- protein
- Length
- 1,138 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sensor protein tors; Periplasmic protein tort
- EC
- 2.7.13.3
- UniProt
- Q87ID1, Q87ID2
- Pockets
- 13 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sensor protein tors (EC 2.7.13.3) | protein | 273 | 88% helix, 0% strand | Q87ID1 |
| C, D | Periplasmic protein tort | protein | 296 | 38% helix, 19% strand | Q87ID2 |
Ligands and binding sites
- IPA · Isopropyl alcohol · additive · 2 copies · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1036 | 0.79 | 0.80 | 95 | IPA |
| 2 | 1068 | 0.78 | 0.80 | 98 | IPA |
| 3 | 148 | 0.74 | 0.92 | 30 | empty |
| 4 | 918 | 0.72 | 0.77 | 54 | empty |
| 5 | 213 | 0.59 | 0.81 | 35 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2717 Ų buried · 34 hydrogen bonds · protein-protein
- B–C · 986 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 984 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 687 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 680 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3O1J · Crystal Structure of the TorS sensor domain - TorT complex in the absence of isopropanol · 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 Q87ID1
- Every structure of UniProt Q87ID2
- Elsewhere: RCSB PDB 3O1J · PDBe 3O1J · UniProt Q87ID1 · UniProt Q87ID2
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