MolNFT v1 · #180369 · protein
Crystal structure of SARS-cov-2 NSP3 macrodomain complex with PARG329
7KXB · Non-structural protein 3: “Crystal structure of SARS-cov-2 NSP3 macrodomain complex with PARG329”. X-ray diffraction, 2 ligands (XB1, SO4), 1 pocket (best druggability 0.56). MolNFT v1 #180369 on GenesisL1: 3D structure, binding…
- PDB
- 7KXB
- Type
- protein
- Length
- 165 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-structural protein 3
- EC
- 3.4.19.121, 3.4.22.-
- UniProt
- P0DTD1
- Ligands
- XB1, SO4
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-structural protein 3 (EC 3.4.19.121, 3.4.22.-) | protein | 165 | 39% helix, 19% strand | P0DTD1 |
Ligands and binding sites
- XB1 · N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl) ethyl]thiourea · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- BME · Beta-mercaptoethanol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 227 | 0.56 | 0.78 | 32 | XB1 |
Compared structures
- 7KXB · Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329 · 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 7KXB · PDBe 7KXB · UniProt P0DTD1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.