MolNFT v1 · #133935 · protein
Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP14 in complex with Z32665176
5SM0 · Proofreading exoribonuclease NSP14: “Pandda analysis group deposition -- crystal structure of SARS-cov-2 NSP14 in complex with Z32665176”. X-ray diffraction, 3 ligands (LQI, ZN, PO4), 6 pockets (best druggability 0.70). MolNFT v1…
- PDB
- 5SM0
- Type
- protein
- Length
- 459 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proofreading exoribonuclease NSP14
- EC
- 3.1.13.-
- UniProt
- P0DTD1
- Ligands
- LQI, ZN, PO4
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D | Proofreading exoribonuclease NSP14 (EC 3.1.13.-) | protein | 459 | 29% helix, 22% strand | P0DTD1 |
Ligands and binding sites
- LQI · (1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone · ligand · chains D
- ZN · Zinc ion · metal · 3 copies · chains D
- PO4 · Phosphate ion · ion · 2 copies · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 416 | 0.70 | 0.81 | 34 | LQI |
| 2 | 165 | 0.46 | 0.76 | 27 | empty |
| 3 | 74 | 0.40 | 0.79 | 20 | PO4 |
| 4 | 83 | 0.31 | 0.74 | 18 | empty |
| 5 | 60 | 0.30 | 0.74 | 12 | empty |
Compared structures
- 5SM0 · PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with… · the same entry in another collection · chain D against D, 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 5SM0 · PDBe 5SM0 · UniProt P0DTD1
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