MolNFT v1 · #27907 · protein
Crystal structure of ahpe from mycrobacterium tuberculosis, a 1-cys peroxiredoxin
1XXU · Hypothetical protein RV2238C/MT2298: “Crystal structure of ahpe from mycrobacterium tuberculosis, a 1-cys peroxiredoxin”. X-ray diffraction, 5 pockets (best druggability 0.72). MolNFT v1 #27907 on GenesisL1: 3D structure, binding…
- PDB
- 1XXU
- Type
- protein
- Length
- 612 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein RV2238C/MT2298
- EC
- 1.11.1.7
- UniProt
- P65688
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Hypothetical protein RV2238C/MT2298 (EC 1.11.1.7) | protein | 153 | 30% helix, 25% strand | P65688 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1113 | 0.72 | 0.76 | 96 | empty |
| 2 | 111 | 0.35 | 0.73 | 20 | empty |
| 3 | 66 | 0.33 | 0.77 | 15 | empty |
| 4 | 75 | 0.32 | 0.74 | 18 | empty |
| 5 | 61 | 0.28 | 0.73 | 18 | empty |
Interfaces
5 interfaces between chains.
- C–D · 743 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 733 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 362 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 193 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 41 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1XXU · Crystal Structure of AhpE from Mycrobacterium tuberculosis, a 1-Cys peroxiredoxin · 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 P65688
- Elsewhere: RCSB PDB 1XXU · PDBe 1XXU · UniProt P65688
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