MolNFT v2 · #186723 · protein
SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFR-yne
7MAU: “SARS-CoV-2 Main Protease (Mpro) in Complex with Covalent Inhibitor dFFR-yne”. X-ray diffraction at 1.95, 2 ligands (YVP, SO4). MolNFT v2 #186723 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7MAU
- Type
- protein
- Length
- 605 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.95
- Source
- Severe acute respiratory syndrome coronavirus 2
- UniProt
- P0DTD1
- Ligands
- YVP, SO4
Structure
x-ray diffraction · resolution 1.95 · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 305 | — | P0DTD1 |
| B | — | protein | 300 | — | P0DTD1 |
Ligands and binding sites
- YVP · N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- DIO · 1,4-diethylene dioxide · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 7MAU · PDBe 7MAU · UniProt P0DTD1
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