MolNFT v1 · #168872 · protein
Crystals structure of the SARS-cov-2 (COVID-19) main protease with inhibitor gc-376
6WTT: “Crystals structure of the SARS-cov-2 (COVID-19) main protease with inhibitor gc-376”. X-ray diffraction, 4 ligands (K36, B1S, MG). MolNFT v1 #168872 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6WTT
- Type
- protein
- Length
- 906 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- K36, B1S, MG, CL
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | — | protein | 302 | — | P0DTD1 |
Ligands and binding sites
- K36 · (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · ligand · 2 copies · chains A, B
- B1S · (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · ligand · chains B, C
- MG · Magnesium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 5 copies · chains A, B, C
- PEG · Di(hydroxyethyl)ether · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6WTT · Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376 · the same entry in another collection · chain C against C, 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 6WTT · PDBe 6WTT · UniProt P0DTD1
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