Research workbench
Papain-like protease of SARS cov-2, C111S mutant, in complex with PLP_SNYDER608 inhibitor
Analyse Papain-like protease of SARS cov-2, C111S mutant, in complex with PLP_SNYDER608… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7SGU
- Type
- protein
- Length
- 313 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Papain-like protease
- EC
- 3.4.19.12
- UniProt
- P0DTC1
- Ligands
- 9EI, ZN, CL
- Pockets
- 2 · best druggability 0.40
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Papain-like protease (EC 3.4.19.12) | protein | 313 | 26% helix, 36% strand | P0DTC1 |
Ligands and binding sites
- 9EI · 5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- FMT · Formic acid · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.40 | 0.76 | 25 | empty |
| 2 | 87 | 0.34 | 0.74 | 17 | 9EI |
Compared structures
- 7SGU · Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder608 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 P0DTC1
- Elsewhere: RCSB PDB 7SGU · PDBe 7SGU · UniProt P0DTC1
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