MolNFT v1 · #183565 · protein
Crystal structure of SARS COV2 main protease in complex with EG009 (modelled using pandda event MAP)
7NUK: “Crystal structure of SARS COV2 main protease in complex with EG009 (modelled using pandda event MAP)”. X-ray diffraction, 1 ligand (USH). MolNFT v1 #183565 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7NUK
- Type
- protein
- Length
- 611 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTC1
- Ligands
- USH
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 305 | — | P0DTC1 |
| B | — | protein | 306 | — | P0DTC1 |
Ligands and binding sites
- USH · 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide · ligand · chains B
- DMS · Dimethyl sulfoxide · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7NUK · Crystal structure of SARS CoV2 main protease in complex with EG009 (modelled using PanDDA… · 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 P0DTC1
- Elsewhere: RCSB PDB 7NUK · PDBe 7NUK · UniProt P0DTC1
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