MolNFT v1 · #155941 · protein
The co-crystal structure of severe acute respiratory syndrome coronavirus 3C like protease with aldehyde M14
6LO0 · Replicase polyprotein 1A: “The co-crystal structure of severe acute respiratory syndrome coronavirus 3C like protease with aldehyde M14”. X-ray diffraction, 1 ligand (EOF), 2 pockets (best druggability 0.50). MolNFT v1 #155941 on…
- PDB
- 6LO0
- Type
- protein
- Length
- 306 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Replicase polyprotein 1A
- EC
- 3.4.19.12, 3.4.22.69, 3.4.22.-
- UniProt
- P0C6U8
- Ligands
- EOF
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Replicase polyprotein 1A (EC 3.4.19.12, 3.4.22.69, 3.4.22.-) | protein | 306 | 25% helix, 28% strand | P0C6U8 |
Ligands and binding sites
- EOF · (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 180 | 0.50 | 0.77 | 25 | EOF |
| 2 | 116 | 0.40 | 0.75 | 23 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6LO0 · The co-crystal structure of Severe Acute Respiratory Syndrome Coronavirus 3C Like… · 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 P0C6U8
- Elsewhere: RCSB PDB 6LO0 · PDBe 6LO0 · UniProt P0C6U8
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