Research workbench
Crystal structure of a tylonycteris bat coronavirus HKU4 macrodomain in complex with adenosine diphosphate glucose (ADP-glucose)
Analyse Crystal structure of a tylonycteris bat coronavirus HKU4 macrodomain in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6MEN
- Type
- protein
- Length
- 323 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Replicase polyprotein 1AB
- UniProt
- P0C6W3
- Ligands
- ADQ
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Replicase polyprotein 1AB | protein | 162 | 37% helix, 22% strand | P0C6W3 |
| B | Replicase polyprotein 1AB | protein | 161 | 37% helix, 22% strand | P0C6W3 |
Ligands and binding sites
- ADQ · Adenosine-5'-diphosphate-glucose · ligand · 2 copies · chains A, 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 | 792 | 0.74 | 0.78 | 69 | ADQ |
| 2 | 210 | 0.54 | 0.78 | 33 | ADQ |
| 3 | 59 | 0.31 | 0.75 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 333 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6MEN · Crystal structure of a Tylonycteris bat coronavirus HKU4 macrodomain in complex with… · 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 P0C6W3
- Elsewhere: RCSB PDB 6MEN · PDBe 6MEN · UniProt P0C6W3
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