MolNFT v2 · #182175 · 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-2e8b2191-12 (Mpro-P2074)
7GM2: “Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal…”. X-ray diffraction at 1.891, 2 ligands (RG3, CL). MolNFT v2 #182175 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7GM2
- Type
- protein
- Length
- 603 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.891
- Source
- Severe acute respiratory syndrome coronavirus 2
- UniProt
- P0DTD1
- Ligands
- RG3, CL
Structure
x-ray diffraction · resolution 1.891 · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 305 | — | P0DTD1 |
| B | — | protein | 298 | — | P0DTD1 |
Ligands and binding sites
- RG3 · (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
- DMS · Dimethyl sulfoxide · additive · 9 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 7GM2 · PDBe 7GM2 · UniProt P0DTD1
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