MolNFT v1 · #172133 · protein
Crystal structure of the SARS-cov-2 helicase at 1.94 ångström resolution
6ZSL · SARS-cov-2 helicase NSP13: “Crystal structure of the SARS-cov-2 helicase at 1.94 ångström resolution”. X-ray diffraction, 2 ligands (ZN, PO4), 13 pockets (best druggability 0.75). MolNFT v1 #172133 on GenesisL1: 3D structure…
- PDB
- 6ZSL
- Type
- protein
- Length
- 1,157 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SARS-cov-2 helicase NSP13
- EC
- 3.4.19.12, 3.4.22.-, 3.4.22.69, 2.7.7.48, 3.6.4.12, 3.6.4.13, 3.1.13.-, 3.1.-.-, 2.1.1.-
- UniProt
- P0DTD1
- Ligands
- ZN, PO4
- Pockets
- 13 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | SARS-cov-2 helicase NSP13 (EC 3.4.19.12, 3.4.22.-, 3.4.22.69, 2.7.7.48, 3.6.4.12, 3.6.4.13, 3.1.13.-, 3.1.-.-, 2.1.1.-) | protein | 585 | 30% helix, 24% strand | P0DTD1 |
| A | SARS-cov-2 helicase NSP13 (EC 3.4.19.12, 3.4.22.-, 3.4.22.69, 2.7.7.48, 3.6.4.12, 3.6.4.13, 3.1.13.-, 3.1.-.-, 2.1.1.-) | protein | 572 | 31% helix, 25% strand | P0DTD1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 438 | 0.75 | 0.84 | 49 | empty |
| 2 | 291 | 0.71 | 0.85 | 40 | empty |
| 3 | 170 | 0.62 | 0.84 | 30 | PO4 |
| 4 | 172 | 0.61 | 0.83 | 27 | empty |
| 5 | 145 | 0.57 | 0.83 | 25 | PO4 |
Interfaces
1 interface between chains.
- B–A · 776 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6ZSL · Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution · 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 6ZSL · PDBe 6ZSL · UniProt P0DTD1
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