MolNFT v1 · #174293 · protein
The crystal structure of COVID-19 main protease in complex with an inhibitor N3 at 1.7 ångström
7BQY: “The crystal structure of COVID-19 main protease in complex with an inhibitor N3 at 1.7 ångström”. X-ray diffraction, 3 ligands (02J, PJE, 010). MolNFT v1 #174293 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7BQY
- Type
- protein
- Length
- 304 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- 02J, PJE, 010
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 301 | — | P0DTD1 |
| C | — | protein | 3 | — | — |
Ligands and binding sites
- 02J · 5-methyl-1,2-oxazole-3-carboxylic acid · ligand · chains A, C
- PJE · (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid · ligand · chains A, C
- 010 · phenylmethanol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7BQY · THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7… · 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 7BQY · PDBe 7BQY · UniProt P0DTD1
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