Research workbench
KAPOSI'S sarcoma herpesvirus protease in complex with allosteric inhibitor
Analyse KAPOSI'S sarcoma herpesvirus protease in complex with allosteric inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5UTN
- Type
- protein
- Length
- 378 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Orf 17
- UniProt
- O40922
- Ligands
- 8MA, CL
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Orf 17 | protein | 190 | 31% helix, 27% strand | O40922 |
| B | Orf 17 | protein | 188 | 29% helix, 27% strand | O40922 |
Ligands and binding sites
- 8MA · 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-fluorophenyl)amino]benzoic acid · ligand · 3 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 817 | 0.72 | 0.77 | 67 | empty |
| 2 | 197 | 0.55 | 0.78 | 26 | 8MA |
| 3 | 138 | 0.45 | 0.76 | 16 | 8MA |
Interfaces
1 interface between chains.
- A–B · 654 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5UTN · Kaposi's Sarcoma Herpesvirus Protease in Complex with Allosteric Inhibitor · 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 O40922
- Elsewhere: RCSB PDB 5UTN · PDBe 5UTN · UniProt O40922
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