Research workbench
The structure of ahpe from mycobacterium tuberculosis revisited
Analyse The structure of ahpe from mycobacterium tuberculosis revisited in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4X0X
- Type
- protein
- Length
- 615 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative peroxiredoxin MT2298
- EC
- 1.11.1.15
- UniProt
- P9WIE2
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative peroxiredoxin MT2298 (EC 1.11.1.15) | protein | 153 | 30% helix, 27% strand | P9WIE2 |
| B, C, D | Putative peroxiredoxin MT2298 (EC 1.11.1.15) | protein | 154 | 30% helix, 29% strand | P9WIE2 |
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 933 | 0.71 | 0.76 | 77 | empty |
| 2 | 69 | 0.41 | 0.80 | 18 | empty |
| 3 | 67 | 0.33 | 0.76 | 14 | empty |
| 4 | 66 | 0.31 | 0.74 | 17 | empty |
| 5 | 64 | 0.29 | 0.73 | 18 | empty |
Interfaces
5 interfaces between chains.
- C–D · 740 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 735 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 342 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 175 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 43 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4X0X · The structure of AhpE from Mycobacterium tuberculosis revisited · the same entry in another collection · chain D against D, TM-score 1.00
- P9WIE2 · AlphaFold monomer V2.0 prediction for alkyl hydroperoxide reductase E (P9WIE2) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P9WIE2
- Elsewhere: RCSB PDB 4X0X · PDBe 4X0X · UniProt P9WIE2
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