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A special dimerization of SARS-cov main protease C-terminal domain due to domain-swapping
Analyse A special dimerization of SARS-cov main protease C-terminal domain due to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EBN
- Type
- protein
- Length
- 402 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Replicase polyprotein 1AB
- EC
- 3.4.22.-
- UniProt
- P0C6X7
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Replicase polyprotein 1AB (EC 3.4.22.-) | protein | 100 | 54% helix, 4% strand | P0C6X7 |
| C, D | Replicase polyprotein 1AB (EC 3.4.22.-) | protein | 101 | 57% helix, 4% strand | P0C6X7 |
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 374 | 0.81 | 0.90 | 29 | empty |
| 2 | 604 | 0.79 | 0.85 | 76 | empty |
| 3 | 372 | 0.78 | 0.88 | 30 | empty |
| 4 | 141 | 0.70 | 0.90 | 24 | empty |
Interfaces
6 interfaces between chains.
- B–D · 3111 Ų buried · 32 hydrogen bonds · protein-protein
- A–C · 3077 Ų buried · 27 hydrogen bonds · protein-protein
- B–C · 475 Ų buried · 13 hydrogen bonds · protein-protein
- A–D · 460 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 296 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3EBN · A Special Dimerization of SARS-CoV Main Protease C-Terminal Domain Due to Domain-swapping · 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 P0C6X7
- Elsewhere: RCSB PDB 3EBN · PDBe 3EBN · UniProt P0C6X7
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