MolNFT v1 · #182252 · protein
Crystal structure of SARS-cov-2 main protease (3CLPRO/MPRO) covalently bound to compound C7
7MLF: “Crystal structure of SARS-cov-2 main protease (3CLPRO/MPRO) covalently bound to compound C7”. X-ray diffraction, 1 ligand (C7A). MolNFT v1 #182252 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7MLF
- Type
- protein
- Length
- 304 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- C7A
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 304 | — | P0DTD1 |
Ligands and binding sites
- C7A · N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl) ethyl]acetamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7MLF · Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound… · 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 7MLF · PDBe 7MLF · UniProt P0DTD1
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