Research workbench
Zika NS5 polymerase domain
Analyse Zika NS5 polymerase domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LD2
- Type
- protein
- Length
- 565 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.4
- Source
- Zika virus (isolate ZIKV/Human/French Polynesia/10087PF/2013)
- Molecule
- RNA-directed RNA polymerase NS5
- EC
- 2.1.1.56, 2.1.1.57, 2.7.7.48
- UniProt
- A0A024B7W1
- Ligands
- KY3, ZN
- Pockets
- 7 · best druggability 0.71
Structure
x-ray diffraction · resolution 1.4 · 1 distinct chain · 48% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RNA-directed RNA polymerase NS5 (EC 2.1.1.56, 2.1.1.57, 2.7.7.48) | protein | 565 | 48% helix, 10% strand | A0A024B7W1 |
Ligands and binding sites
- KY3 · (1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 945 | 0.71 | 0.76 | 65 | KY3 |
| 2 | 63 | 0.49 | 0.85 | 28 | empty |
| 3 | 63 | 0.36 | 0.78 | 17 | empty |
| 4 | 86 | 0.33 | 0.74 | 15 | empty |
| 5 | 68 | 0.28 | 0.73 | 17 | empty |
Compared structures
- 6LD2 · Zika NS5 polymerase domain · 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 A0A024B7W1
- Elsewhere: RCSB PDB 6LD2 · PDBe 6LD2 · UniProt A0A024B7W1
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