MolNFT v1 · #133651 · protein
Pandda analysis group deposition -- crystal structure of SARS-cov-2 nendou in complex with PB2255187532
5S6Z · Uridylate-specific endoribonuclease: “Pandda analysis group deposition -- crystal structure of SARS-cov-2 nendou in complex with PB2255187532”. X-ray diffraction, 1 ligand (WUM), 7 pockets (best druggability 0.59). MolNFT v1 #133651…
- PDB
- 5S6Z
- 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
- WUM
- Pockets
- 7 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Uridylate-specific endoribonuclease (EC 3.1.-.-) | protein | 348 | 22% helix, 32% strand | P0DTD1 |
Ligands and binding sites
- WUM · 4-[(dimethylamino)methyl]-1,3-thiazol-2-amine · ligand · 2 copies · chains A, B
- CIT · Citric acid · additive · 2 copies · chains A, 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 | 232 | 0.59 | 0.80 | 26 | empty |
| 2 | 221 | 0.58 | 0.80 | 28 | empty |
| 3 | 135 | 0.43 | 0.76 | 22 | empty |
| 4 | 101 | 0.38 | 0.75 | 21 | empty |
| 5 | 78 | 0.32 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 598 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5S6Z · PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex… · 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 P0DTD1
- Elsewhere: RCSB PDB 5S6Z · PDBe 5S6Z · UniProt P0DTD1
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