MolNFT v1 · #160886 · protein
Crystal structure of procaspase-8 in complex with covalent small molecule inhibitor 63-R
6PX9: “Crystal structure of procaspase-8 in complex with covalent small molecule inhibitor 63-R”. X-ray diffraction, 1 ligand (63R). MolNFT v1 #160886 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6PX9
- Type
- protein
- Length
- 1,251 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q14790
- Ligands
- 63R
Structure
x-ray diffraction · 6 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 209 | — | Q14790 |
| B | — | protein | 207 | — | Q14790 |
| C | — | protein | 206 | — | Q14790 |
| D | — | protein | 210 | — | Q14790 |
| E | — | protein | 210 | — | Q14790 |
| F | — | protein | 209 | — | Q14790 |
Ligands and binding sites
- 63R · N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6PX9 · Crystal structure of procaspase-8 in complex with covalent small molecule inhibitor 63-R · the same entry in another collection · chain F against F, TM-score 1.00
- Q14790 · AlphaFold monomer V2.0 prediction for caspase-8 (Q14790) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 Q14790
- Elsewhere: RCSB PDB 6PX9 · PDBe 6PX9 · UniProt Q14790
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