MolNFT v1 · #136868 · protein
Crystal structure of the middle east respiratory syndrome coronavirus papain-like protease bound to ubiquitin variant ME.2
5V6A · MERS-cov plpro: “Crystal structure of the middle east respiratory syndrome coronavirus papain-like protease bound to ubiquitin…”. X-ray diffraction, 2 ligands (ZN, CL), 3 pockets (best druggability 0.68). MolNFT v1 #136868 on…
- PDB
- 5V6A
- Type
- protein
- Length
- 391 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MERS-cov plpro; ME.2
- UniProt
- K0BWD0
- Ligands
- ZN, CL
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MERS-cov plpro | protein | 320 | 24% helix, 38% strand | K0BWD0 |
| B | ME.2 | protein | 71 | 17% helix, 32% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
- CL · Chloride ion · ion · 4 copies · chains A
- FLC · Citrate anion · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 540 | 0.68 | 0.78 | 74 | CL |
| 2 | 132 | 0.43 | 0.76 | 24 | empty |
| 3 | 79 | 0.36 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1055 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 5V6A · Crystal structure of the Middle East respiratory syndrome coronavirus papain-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 K0BWD0
- Elsewhere: RCSB PDB 5V6A · PDBe 5V6A · UniProt K0BWD0
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