MolNFT v1 · #179788 · protein
Crystal structure of cov-2 NSP3 macrodomain
7KG3 · Non-structural protein 3: “Crystal structure of cov-2 NSP3 macrodomain”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.57). MolNFT v1 #179788 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KG3
- Type
- protein
- Length
- 166 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
- SO4
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-structural protein 3 (EC 3.4.19.121, 3.4.22.-) | protein | 166 | 39% helix, 20% strand | P0DTD1 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A
- MLI · Malonate ion · additive · 2 copies · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
- GOL · Glycerol · 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 | 204 | 0.57 | 0.79 | 32 | MLI, MES |
Compared structures
- 7KG3 · Crystal structure of CoV-2 Nsp3 Macrodomain · 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 7KG3 · PDBe 7KG3 · UniProt P0DTD1
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