MolNFT v1 · #180809 · protein
SARS-cov-2 papain-like protease (plpro) bound to inhibitor XR8-24
7LBS: “SARS-cov-2 papain-like protease (plpro) bound to inhibitor XR8-24”. X-ray diffraction, 4 ligands (XR8, ZN, SO4). MolNFT v1 #180809 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7LBS
- Type
- protein
- Length
- 632 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTC1
- Ligands
- XR8, ZN, SO4, BO3
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 316 | — | P0DTC1 |
Ligands and binding sites
- XR8 · 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl) ethyl]benzamide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- BO3 · Boric acid · ion · 4 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7LBS · SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-24 · 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 P0DTC1
- Elsewhere: RCSB PDB 7LBS · PDBe 7LBS · UniProt P0DTC1
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