Research workbench
Covalent complex of SARS-cov-2 main protease with N-[(2S)-1-({(2S,3S)- 3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-YL]BUTAN-2-YL}AMINO)-4- methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Analyse Covalent complex of SARS-cov-2 main protease with N-[(2S)-1-({(2S,3S)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6XHM
- Type
- protein
- Length
- 603 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- V2M
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 302 | — | P0DTD1 |
| B | — | protein | 301 | — | P0DTD1 |
Ligands and binding sites
- V2M · N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6XHM · Covalent complex of SARS-CoV-2 main protease with… · 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 6XHM · PDBe 6XHM · UniProt P0DTD1
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