Research workbench
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z1673618163
Analyse PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5SA7
- Type
- protein
- Length
- 696 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.222
- Source
- Severe acute respiratory syndrome coronavirus 2
- Molecule
- Uridylate-specific endoribonuclease
- EC
- 3.1.-.-
- UniProt
- P0DTD1
- Ligands
- WL7
- Pockets
- 8 · best druggability 0.62
Structure
x-ray diffraction · resolution 2.222 · 1 distinct chain · 21% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Uridylate-specific endoribonuclease (EC 3.1.-.-) | protein | 348 | 21% helix, 31% strand | P0DTD1 |
Ligands and binding sites
- WL7 · 4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 279 | 0.62 | 0.80 | 33 | empty |
| 2 | 208 | 0.59 | 0.81 | 28 | empty |
| 3 | 118 | 0.39 | 0.75 | 20 | empty |
| 4 | 106 | 0.38 | 0.75 | 21 | empty |
| 5 | 68 | 0.34 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 612 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5SA7 · Pandda analysis group deposition -- crystal structure of SARS-cov-2 nendou 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 P0DTD1
- Elsewhere: RCSB PDB 5SA7 · PDBe 5SA7 · UniProt P0DTD1
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