MolNFT v1 · #172813 · protein
SARS-cov-2 main protease in a covalent complex with sdz 224015 derivative, compound 5
7AEG: “SARS-cov-2 main protease in a covalent complex with sdz 224015 derivative, compound 5”. X-ray diffraction, 2 ligands (PHQ, CF0). MolNFT v1 #172813 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7AEG
- Type
- protein
- Length
- 308 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- PHQ, CF0
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 305 | — | P0DTD1 |
| B | — | protein | 3 | — | — |
Ligands and binding sites
- PHQ · benzyl chlorocarbonate · ligand · chains A, B
- CF0 · Fluoromethane · ion · chains A, B
- DMS · Dimethyl sulfoxide · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7AEG · SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 · 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 7AEG · PDBe 7AEG · UniProt P0DTD1
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