6HKQ
Human GPX4 in complex with covalent Inhibitor ML162 (S enantiomer)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Phospholipid hydroperoxide glutathione peroxidase | polymer | 176 | 20366.2 | 1 | UniProt (P36969) Pfam (PF00255) | Homo sapiens (human) | PHGPx,Glutathione peroxidase 4,GSHPx-4 |
| 2 | B (A) | (2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide | non-polymer | 477.4 | 1 | Chemie (G9N) | |||
| 3 | C (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | E, F (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 6 | G (A) | water | water | 18.0 | 227 | Chemie (HOH) |
Sequence modifications
A: 1 - 170 (UniProt: P36969)
| PDB | External Database | Details |
|---|---|---|
| Ser 66 | Cys 66 | engineered mutation |
| His 171 | - | expression tag |
| His 172 | - | expression tag |
| His 173 | - | expression tag |
| His 174 | - | expression tag |
| His 175 | - | expression tag |
| His 176 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 20366.2 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 791.8 | |
| All* | Total formula weight | 21158.0 |
