Research workbench
Crystal structure of SARS coronavirus main peptidase at pH 6.0 in the space group P21
Analyse Crystal structure of SARS coronavirus main peptidase at pH 6.0 in the space… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2GT7
- Type
- protein
- Length
- 602 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase
- EC
- 3.4.22.-
- UniProt
- P59641
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C-like proteinase (EC 3.4.22.-) | protein | 300 | 25% helix, 30% strand | P59641 |
| B | 3C-like proteinase (EC 3.4.22.-) | protein | 302 | 26% helix, 30% strand | P59641 |
Ligands and binding sites
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 989 | 0.76 | 0.79 | 78 | empty |
| 2 | 458 | 0.60 | 0.75 | 60 | empty |
| 3 | 162 | 0.41 | 0.74 | 27 | empty |
| 4 | 58 | 0.38 | 0.80 | 16 | empty |
| 5 | 125 | 0.38 | 0.74 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1385 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 2GT7 · Crystal structure of SARS coronavirus main peptidase at pH 6.0 in the space group P21 · 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 P59641
- Elsewhere: RCSB PDB 2GT7 · PDBe 2GT7 · UniProt P59641
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