MolNFT v1 · #151331 · protein
Human GPX4 in complex with covalent inhibitor ML162 (S enantiomer)
6HKQ · Phospholipid hydroperoxide glutathione peroxidase: “Human GPX4 in complex with covalent inhibitor ML162 (S enantiomer)”. X-ray diffraction, 2 ligands (G9N, SO4). MolNFT v1 #151331 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6HKQ
- Type
- protein
- Length
- 166 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phospholipid hydroperoxide glutathione peroxidase
- EC
- 1.11.1.12
- UniProt
- P36969
- Ligands
- G9N, SO4
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phospholipid hydroperoxide glutathione peroxidase (EC 1.11.1.12) | protein | 166 | 35% helix, 21% strand | P36969 |
Ligands and binding sites
- G9N · (2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6HKQ · Human GPX4 in complex with covalent Inhibitor ML162 (S enantiomer) · 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 P36969
- Elsewhere: RCSB PDB 6HKQ · PDBe 6HKQ · UniProt P36969
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