Research workbench
Structure of the tir domain of the immunosuppressor btpa from brucella
Analyse Structure of the tir domain of the immunosuppressor btpa from brucella in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4LZP
- Type
- protein
- Length
- 584 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein
- UniProt
- C0RGW8
- Pockets
- 9 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 49% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Putative uncharacterized protein | protein | 129 | 43% helix, 19% strand | C0RGW8 |
| C | Putative uncharacterized protein | protein | 163 | 55% helix, 15% strand | C0RGW8 |
| A | Putative uncharacterized protein | protein | 162 | 53% helix, 17% strand | C0RGW8 |
| D | Putative uncharacterized protein | protein | 130 | 42% helix, 21% strand | C0RGW8 |
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 640 | 0.68 | 0.77 | 70 | empty |
| 2 | 88 | 0.56 | 0.85 | 16 | empty |
| 3 | 56 | 0.53 | 0.88 | 19 | empty |
| 4 | 133 | 0.51 | 0.80 | 27 | empty |
| 5 | 54 | 0.46 | 0.84 | 14 | empty |
Interfaces
5 interfaces between chains.
- B–A · 1345 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1294 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 331 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 216 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 143 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4LZP · Structure of the TIR domain of the immunosuppressor BtpA from Brucella · the same entry in another collection · chain D against D, TM-score 1.00
- C0RGW8 · AlphaFold monomer V2.0 prediction for NAD(+) hydrolase btpa (C0RGW8) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 C0RGW8
- Elsewhere: RCSB PDB 4LZP · PDBe 4LZP · UniProt C0RGW8
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