MolNFT v1 · #109407 · protein
The structure of ahpe from mycobacterium tuberculosis revisited
4X1U · Putative peroxiredoxin MT2298: “The structure of ahpe from mycobacterium tuberculosis revisited”. X-ray diffraction, 1 pocket (best druggability 0.52). MolNFT v1 #109407 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4X1U
- Type
- protein
- Length
- 316 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative peroxiredoxin MT2298
- EC
- 1.11.1.15
- UniProt
- P9WIE2
- Pockets
- 1 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative peroxiredoxin MT2298 (EC 1.11.1.15) | protein | 157 | 28% helix, 25% strand | P9WIE2 |
| B | Putative peroxiredoxin MT2298 (EC 1.11.1.15) | protein | 159 | 27% helix, 26% strand | P9WIE2 |
Ligands and binding sites
- GOL · Glycerol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.52 | 0.87 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 258 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 4X1U · The structure of AhpE from Mycobacterium tuberculosis revisited · the same entry in another collection · chain A against A, TM-score 1.00
- P9WIE2 · AlphaFold monomer V2.0 prediction for alkyl hydroperoxide reductase E (P9WIE2) · a predicted model of the same protein · chain A 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 P9WIE2
- Elsewhere: RCSB PDB 4X1U · PDBe 4X1U · UniProt P9WIE2
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