MolNFT v1 · #79990 · protein
Crystal structure of human peroxiredoxin IV C51A mutant in oxidized form
3TJG · Peroxiredoxin-4: “Crystal structure of human peroxiredoxin IV C51A mutant in oxidized form”. X-ray diffraction, 12 pockets (best druggability 0.59). MolNFT v1 #79990 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3TJG
- Type
- protein
- Length
- 843 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxiredoxin-4
- EC
- 1.11.1.15
- UniProt
- Q13162
- Pockets
- 12 · best druggability 0.59
Structure
x-ray diffraction · 4 distinct chains · 30% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxiredoxin-4 (EC 1.11.1.15) | protein | 167 | 30% helix, 28% strand | Q13162 |
| B, C | Peroxiredoxin-4 (EC 1.11.1.15) | protein | 170 | 29% helix, 28% strand | Q13162 |
| D | Peroxiredoxin-4 (EC 1.11.1.15) | protein | 169 | 30% helix, 28% strand | Q13162 |
| E | Peroxiredoxin-4 (EC 1.11.1.15) | protein | 167 | 30% helix, 27% strand | Q13162 |
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 322 | 0.59 | 0.77 | 36 | empty |
| 2 | 303 | 0.58 | 0.77 | 47 | empty |
| 3 | 270 | 0.57 | 0.77 | 33 | empty |
| 4 | 204 | 0.53 | 0.77 | 34 | empty |
| 5 | 192 | 0.53 | 0.78 | 29 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1211 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1124 Ų buried · 18 hydrogen bonds · protein-protein
- D–E · 785 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 770 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
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 Q13162
- Elsewhere: RCSB PDB 3TJG · PDBe 3TJG · UniProt Q13162
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