MolNFT v1 · #109174 · protein
The crystal structure of the MERS-cov papain-like protease (C111S) with human ubiquitin
4WUR: “The crystal structure of the MERS-cov papain-like protease (C111S) with human ubiquitin”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.65). MolNFT v1 #109174 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4WUR
- Type
- protein
- Length
- 391 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Papain-like protease; Polyubiquitin-B
- EC
- 3.4.19.12, 3.4.22.69
- UniProt
- K9N7C7, P0CG47
- Ligands
- ZN
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Papain-like protease (EC 3.4.19.12, 3.4.22.69) | protein | 317 | 25% helix, 40% strand | K9N7C7 |
| B | Polyubiquitin-B | protein | 74 | 11% helix, 32% strand | P0CG47 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 531 | 0.65 | 0.76 | 67 | empty |
| 2 | 274 | 0.62 | 0.80 | 34 | empty |
| 3 | 196 | 0.53 | 0.78 | 33 | empty |
| 4 | 115 | 0.45 | 0.78 | 20 | empty |
| 5 | 146 | 0.44 | 0.75 | 25 | IPA |
Interfaces
1 interface between chains.
- A–B · 834 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4WUR · The crystal structure of the MERS-CoV papain-like protease (C111S) with human ubiquitin · 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 K9N7C7
- Every structure of UniProt P0CG47
- Elsewhere: RCSB PDB 4WUR · PDBe 4WUR · UniProt K9N7C7 · UniProt P0CG47
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