9DEX
Crystal structure of human peroxiredoxin 1 in complex with inhibitor WF-097
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Peroxiredoxin-1 | polymer | 198 | 21960.0 | 2 | UniProt (Q06830) Pfam (PF00578) Pfam (PF10417) | Homo sapiens (human) | Natural killer cell-enhancing factor A,NKEF-A,Proliferation-associated gene protein,PAG,Thioredoxin peroxidase 2,Thioredoxin-dependent peroxide reductase 2,Thioredoxin-dependent peroxiredoxin 1 |
| 2 | C, D, F, H, I... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 17 | Chemie (EDO) | |||
| 3 | E, G, Q, U (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | L, O (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 5 | Z (B) | methyl N-(2-{[(2M)-2-(pyridin-3-yl)-1,3-thiazole-4-carbonyl]amino}prop-2-enoyl)-D-alaninate | non-polymer | 360.4 | 1 | Chemie (IY4) | |||
| 6 | AA, BA (A, B) | water | water | 18.0 | 199 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 199 (UniProt: Q06830)
| PDB | External Database | Details |
|---|---|---|
| Ser 71 | Cys 71 | engineered mutation |
| Ser 83 | Cys 83 | engineered mutation |
| Ser 173 | Cys 173 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 43919.9 | |
| Non-Polymers* | Number of molecules | 24 |
| Total formula weight | 2012.0 | |
| All* | Total formula weight | 45931.9 |
