MolNFT v2 · #182351 · protein
Crystal structure of SARS-CoV-2 main protease in complex with cpd-4
7GRH: “Crystal structure of SARS-CoV-2 main protease in complex with cpd-4”. X-ray diffraction at 1.87, 2 ligands (Y25, NA). MolNFT v2 #182351 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7GRH
- Type
- protein
- Length
- 607 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.87
- Source
- Severe acute respiratory syndrome coronavirus 2
- UniProt
- P0DTD1
- Ligands
- Y25, NA
Structure
x-ray diffraction · resolution 1.87 · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 301 | — | P0DTD1 |
| B | — | protein | 306 | — | P0DTD1 |
Ligands and binding sites
- Y25 · 5-chloropyridin-3-ol · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · chains B
- DMS · Dimethyl sulfoxide · additive · 18 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 7GRH · PDBe 7GRH · UniProt P0DTD1
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