MolNFT v1 · #174906 · protein
The crystal structure of COVID-19 main protease in complex with an inhibitor shikonin
7CA8: “The crystal structure of COVID-19 main protease in complex with an inhibitor shikonin”. X-ray diffraction, 1 ligand (FNO). MolNFT v1 #174906 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7CA8
- Type
- protein
- Length
- 569 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- FNO
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 296 | — | P0DTD1 |
| B | — | protein | 273 | — | P0DTD1 |
Ligands and binding sites
- FNO · 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7CA8 · The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin · 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 P0DTD1
- Elsewhere: RCSB PDB 7CA8 · PDBe 7CA8 · UniProt P0DTD1
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