MolNFT v1 · #106041 · protein
Crystal structure of plpro from middle east respiratory syndrome (MERS) coronavirus
4RNA · Papain-like protease: “Crystal structure of plpro from middle east respiratory syndrome (MERS) coronavirus”. X-ray diffraction, 2 ligands (ZN, PO4), 2 pockets (best druggability 0.45). MolNFT v1 #106041 on GenesisL1: 3D structure…
- PDB
- 4RNA
- Type
- protein
- Length
- 321 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Papain-like protease
- EC
- 3.4.22.-
- UniProt
- K4LC41
- Ligands
- ZN, PO4
- Pockets
- 2 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Papain-like protease (EC 3.4.22.-) | protein | 321 | 25% helix, 38% strand | K4LC41 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.45 | 0.77 | 25 | empty |
| 2 | 75 | 0.41 | 0.78 | 17 | PO4 |
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 4RNA · Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus · 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 K4LC41
- Elsewhere: RCSB PDB 4RNA · PDBe 4RNA · UniProt K4LC41
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