MolNFT v1 · #84795 · protein
Crystal structure of high molecular weight (hmw) form of peroxiredoxin I from schistosoma mansoni
3ZVJ · Thioredoxin peroxidase: “Crystal structure of high molecular weight (hmw) form of peroxiredoxin I from schistosoma mansoni”. X-ray diffraction, 20 pockets (best druggability 0.76). MolNFT v1 #84795 on GenesisL1: 3D structure…
- PDB
- 3ZVJ
- Type
- protein
- Length
- 3,379 residues
- Chains
- 20
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin peroxidase
- EC
- 1.11.1.15
- UniProt
- O97161
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 17 distinct chains · 27% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 165 | 29% helix, 26% strand | O97161 |
| B | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 166 | 30% helix, 25% strand | O97161 |
| C | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 174 | 26% helix, 22% strand | O97161 |
| D | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 168 | 25% helix, 24% strand | O97161 |
| E | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 169 | 25% helix, 22% strand | O97161 |
| F, S | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 172 | 24% helix, 20% strand | O97161 |
| G | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 172 | 29% helix, 23% strand | O97161 |
| H, J | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 171 | 25% helix, 19% strand | O97161 |
| I | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 167 | 25% helix, 22% strand | O97161 |
| K, T | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 170 | 25% helix, 25% strand | O97161 |
| L | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 171 | 26% helix, 26% strand | O97161 |
| M | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 171 | 25% helix, 25% strand | O97161 |
| N | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 165 | 28% helix, 28% strand | O97161 |
| O | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 167 | 29% helix, 27% strand | O97161 |
| P | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 167 | 30% helix, 29% strand | O97161 |
| Q | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 163 | 29% helix, 26% strand | O97161 |
| R | Thioredoxin peroxidase (EC 1.11.1.15) | protein | 168 | 23% helix, 25% strand | O97161 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 691 | 0.76 | 0.82 | 71 | empty |
| 2 | 898 | 0.76 | 0.79 | 68 | empty |
| 3 | 1162 | 0.75 | 0.78 | 88 | empty |
| 4 | 77 | 0.75 | 0.98 | 25 | empty |
| 5 | 73 | 0.75 | 0.98 | 23 | empty |
Interfaces
37 interfaces between chains.
- C–D · 1586 Ų buried · 13 hydrogen bonds · protein-protein
- S–T · 1578 Ų buried · 22 hydrogen bonds · protein-protein
- I–J · 1509 Ų buried · 26 hydrogen bonds · protein-protein
- G–H · 1494 Ų buried · 15 hydrogen bonds · protein-protein
- E–F · 1466 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3ZVJ · Crystal structure of high molecular weight (HMW) form of Peroxiredoxin I from Schistosoma… · 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 O97161
- Elsewhere: RCSB PDB 3ZVJ · PDBe 3ZVJ · UniProt O97161
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