MolNFT v1 · #103853 · protein
Crystal structure of plpro from middle east respiratory syndrome (MERS) coronavirus
4PT5 · Papain-like protease: “Crystal structure of plpro from middle east respiratory syndrome (MERS) coronavirus”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.47). MolNFT v1 #103853 on GenesisL1: 3D structure, binding…
- PDB
- 4PT5
- Type
- protein
- Length
- 321 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Papain-like protease
- EC
- 3.4.22.2
- UniProt
- K4LC41
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Papain-like protease (EC 3.4.22.2) | protein | 321 | 24% helix, 37% strand | K4LC41 |
Ligands and binding sites
- ZN · Zinc ion · metal · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 149 | 0.47 | 0.77 | 25 | empty |
| 2 | 61 | 0.39 | 0.79 | 17 | empty |
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 4PT5 · 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 4PT5 · PDBe 4PT5 · UniProt K4LC41
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