MolNFT v2 · #182112 · protein
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-96f51285-5 (Mpro-P0831)
7GKB: “Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal…”. X-ray diffraction at 1.96, 2 ligands (QVG, CL). MolNFT v2 #182112 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7GKB
- Type
- protein
- Length
- 600 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.96
- Source
- Severe acute respiratory syndrome coronavirus 2
- UniProt
- P0DTD1
- Ligands
- QVG, CL
Structure
x-ray diffraction · resolution 1.96 · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 302 | — | P0DTD1 |
| B | — | protein | 298 | — | P0DTD1 |
Ligands and binding sites
- QVG · (4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
- DMS · Dimethyl sulfoxide · additive · 11 copies · chains A, 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 7GKB · PDBe 7GKB · UniProt P0DTD1
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