MolNFT v1 · #164613 · protein
3C-like protease from southampton virus complexed with FMOPL000324A.
6T3G · Genome polyprotein: “3C-like protease from southampton virus complexed with FMOPL000324A.”. X-ray diffraction, 2 ligands (JOV, PO4), 3 pockets (best druggability 0.40). MolNFT v1 #164613 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6T3G
- Type
- protein
- Length
- 343 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Genome polyprotein
- EC
- 3.6.1.15, 3.4.22.66, 2.7.7.48
- UniProt
- Q04544
- Ligands
- JOV, PO4
- Pockets
- 3 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Genome polyprotein (EC 3.6.1.15, 3.4.22.66, 2.7.7.48) | protein | 172 | 8% helix, 53% strand | Q04544 |
| B | Genome polyprotein (EC 3.6.1.15, 3.4.22.66, 2.7.7.48) | protein | 171 | 8% helix, 51% strand | Q04544 |
Ligands and binding sites
- JOV · 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide · ligand · chains A
- PO4 · Phosphate ion · ion · 4 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.40 | 0.79 | 23 | PO4 |
| 2 | 64 | 0.38 | 0.79 | 14 | PO4 |
| 3 | 56 | 0.25 | 0.72 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 899 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6T3G · 3C-like protease from Southampton virus complexed with FMOPL000324a. · 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 Q04544
- Elsewhere: RCSB PDB 6T3G · PDBe 6T3G · UniProt Q04544
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