Research workbench
Crystal Structure of viral RdRp in complex with GTP
Analyse Crystal Structure of viral RdRp in complex with GTP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HDG
- Type
- protein
- Length
- 1,224 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.38
- Source
- Japanese encephalitis virus
- Molecule
- Polyprotein
- EC
- 2.7.7.48
- UniProt
- G3LHD9
- Ligands
- GTP, ZN
- Pockets
- 10 · best druggability 0.87
Structure
x-ray diffraction · resolution 2.38 · 1 distinct chain · 47% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Polyprotein (EC 2.7.7.48) | protein | 612 | 47% helix, 12% strand | G3LHD9 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 858 | 0.87 | 0.90 | 108 | empty |
| 2 | 836 | 0.86 | 0.88 | 85 | GTP |
| 3 | 431 | 0.83 | 0.91 | 68 | GTP |
| 4 | 115 | 0.66 | 0.89 | 25 | empty |
| 5 | 51 | 0.62 | 0.93 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1308 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 4HDG · Crystal structure of viral rdrp in complex with GTP · 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 G3LHD9
- Elsewhere: RCSB PDB 4HDG · PDBe 4HDG · UniProt G3LHD9
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