Research workbench
Crystal structure of SARS-cov 3C-like protease with C6Z
Analyse Crystal structure of SARS-cov 3C-like protease with C6Z in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3VB6
- Type
- protein
- Length
- 615 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase; C6Z inhibitor
- EC
- 3.4.22.-
- UniProt
- P0C6U8
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 26% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C-like proteinase (EC 3.4.22.-) | protein | 301 | 26% helix, 31% strand | P0C6U8 |
| B | 3C-like proteinase (EC 3.4.22.-) | protein | 306 | 26% helix, 28% strand | P0C6U8 |
| E, F | C6Z inhibitor | protein | 4 | 0% helix, 25% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 973 | 0.76 | 0.79 | 78 | empty |
| 2 | 85 | 0.68 | 0.93 | 27 | empty |
| 3 | 395 | 0.57 | 0.75 | 50 | empty |
| 4 | 129 | 0.44 | 0.77 | 27 | empty |
| 5 | 146 | 0.41 | 0.74 | 26 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1372 Ų buried · 40 hydrogen bonds · protein-protein
- B–F · 457 Ų buried · 8 hydrogen bonds · protein-protein
- A–E · 431 Ų buried · 15 hydrogen bonds · protein-protein
- B–E · 23 Ų buried · 0 hydrogen bonds · protein-protein
- A–F · 22 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 3VB6 · Crystal structure of SARS-CoV 3C-like protease with C6Z · the same entry in another collection · chain B against B, 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 P0C6U8
- Elsewhere: RCSB PDB 3VB6 · PDBe 3VB6 · UniProt P0C6U8
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