MolNFT v1 · #186046 · protein
Room temperature in-situ SARS-cov-2 mpro with bound abt-957
7QT8: “Room temperature in-situ SARS-cov-2 mpro with bound abt-957”. X-ray diffraction, 1 ligand (R8H). MolNFT v1 #186046 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7QT8
- Type
- protein
- Length
- 610 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- R8H
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 305 | — | P0DTD1 |
Ligands and binding sites
- R8H · (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino) butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7QT8 · Room temperature In-situ SARS-CoV-2 MPRO with bound ABT-957 · 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 7QT8 · PDBe 7QT8 · UniProt P0DTD1
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