MolNFT v1 · #133764 · protein
Pandda analysis group deposition -- crystal structure of SARS-cov-2 nendou in complex with Z239136710
5SA4 · Uridylate-specific endoribonuclease: “Pandda analysis group deposition -- crystal structure of SARS-cov-2 nendou in complex with Z239136710”. X-ray diffraction, 1 ligand (K3A), 9 pockets (best druggability 0.60). MolNFT v1 #133764…
- PDB
- 5SA4
- Type
- protein
- Length
- 696 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uridylate-specific endoribonuclease
- EC
- 3.1.-.-
- UniProt
- P0DTD1
- Ligands
- K3A
- Pockets
- 9 · best druggability 0.60
Structure
x-ray diffraction · 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
- K3A · N-(5-methyl-1H-pyrazol-3-yl)acetamide · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 246 | 0.60 | 0.80 | 33 | empty |
| 2 | 204 | 0.59 | 0.81 | 28 | empty |
| 3 | 116 | 0.40 | 0.75 | 21 | empty |
| 4 | 121 | 0.40 | 0.75 | 22 | empty |
| 5 | 65 | 0.31 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 620 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5SA4 · 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 5SA4 · PDBe 5SA4 · UniProt P0DTD1
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