MolNFT v1 · #104804 · protein
Atomic structure of tuberculosis necrotizing toxin (tnt) complexed with its immunity factor ift
4QLP: “Atomic structure of tuberculosis necrotizing toxin (tnt) complexed with its immunity factor ift”. X-ray diffraction, 5 pockets (best druggability 0.66). MolNFT v1 #104804 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QLP
- Type
- protein
- Length
- 374 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Immunity factor ift; Alanine and proline rich protein, tuberculosis necrotizing toxin…
- UniProt
- O05443, O05442
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Immunity factor ift | protein | 175 | 35% helix, 29% strand | O05443 |
| B | Alanine and proline rich protein, tuberculosis necrotizing toxin (tnt) | protein | 199 | 20% helix, 22% strand | O05442 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.66 | 0.84 | 54 | empty |
| 2 | 292 | 0.61 | 0.79 | 27 | empty |
| 3 | 68 | 0.36 | 0.78 | 16 | empty |
| 4 | 99 | 0.36 | 0.74 | 20 | empty |
| 5 | 65 | 0.31 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1845 Ų buried · 47 hydrogen bonds · protein-protein
Compared structures
- 4QLP · Atomic structure of tuberculosis necrotizing toxin (TNT) complexed with its immunity… · the same entry in another collection · chain A against A, TM-score 1.00
- O05443 · AlphaFold monomer V2.0 prediction for immunity factor for tnt (O05443) · a predicted model of the same protein · chain A against A, TM-score 0.97
- O05442 · AlphaFold monomer V2.0 prediction for outer membrane channel protein cpnt (O05442) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 O05443
- Every structure of UniProt O05442
- Elsewhere: RCSB PDB 4QLP · PDBe 4QLP · UniProt O05443 · UniProt O05442
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