MolNFT v1 · #185727 · protein
Crystal structure of SARS-cov-2 main protease (NSP5) in complex with compound 18
7QBB: “Crystal structure of SARS-cov-2 main protease (NSP5) in complex with compound 18”. X-ray diffraction, 1 ligand (V1B). MolNFT v1 #185727 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7QBB
- Type
- protein
- Length
- 304 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTD1
- Ligands
- V1B
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 304 | — | P0DTD1 |
Ligands and binding sites
- V1B · 7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7QBB · Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 18 · 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 7QBB · PDBe 7QBB · UniProt P0DTD1
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