MolNFT v1 · #169423 · protein
Crystal structure of the SARS-cov-2 (COVID-19) main protease in complex with inhibitor UAW246
6XBG: “Crystal structure of the SARS-cov-2 (COVID-19) main protease in complex with inhibitor UAW246”. X-ray diffraction, 4 ligands (P6S, UZ4, UZ1). MolNFT v1 #169423 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6XBG
- Type
- protein
- Length
- 605 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- P6S, UZ4, UZ1, NA
Structure
x-ray diffraction · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 300 | — | P0DTD1 |
| B | — | protein | 303 | — | P0DTD1 |
| C, E | — | protein | 1 | — | — |
Ligands and binding sites
- P6S · benzyl hydrogen carbonate · ligand · 2 copies · chains A, C, B, E
- UZ4 · (2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid · ligand · 2 copies · chains A, C, B, E
- UZ1 · Cyclopropanamine · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · chains B
- GOL · Glycerol · additive · 3 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6XBG · Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor… · 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 6XBG · PDBe 6XBG · UniProt P0DTD1
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