MolNFT v1 · #178694 · protein
The crystal structure of papain-like protease of SARS cov-2 , C111S mutant, in complex with PLP_SNYDER495 inhibitor
7JIT: “The crystal structure of papain-like protease of SARS cov-2 , C111S mutant, in complex with PLP_SNYDER495…”. X-ray diffraction, 3 ligands (Y95, ZN, CL). MolNFT v1 #178694 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7JIT
- Type
- protein
- Length
- 314 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTC1
- Ligands
- Y95, ZN, CL
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 314 | — | P0DTC1 |
Ligands and binding sites
- Y95 · 5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide · ligand · chains A
- ZN · Zinc ion · metal · 4 copies · chains A
- CL · Chloride ion · ion · 3 copies · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7JIT · The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex… · 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 7JIT · PDBe 7JIT · UniProt P0DTC1
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