Table A1.
Residues forming the binding sites A and B in flaviviral NS3 helicases.
| Virus | ZIKV | DENV | Kunjin | JEV | YFV | MVEV | TBEV |
|---|---|---|---|---|---|---|---|
| PDB Code | This Work | 2JLQ | 2QEQ | 2Z83 | 1YKS | 2V8O | - |
| Site A | R439 | R | R | R | K | R | R |
| I441 | I | I | I | A | I | E | |
| N568 | N | T | T | E | S | A | |
| N569 | N | N | N | H | N | N | |
| T570 | Q | T | A | E | I | A | |
| I571 | I | I | I | I | I | V | |
| M572 | L | L | L | L | L | D | |
| M595 | L | I | L | C | L | K | |
| A597 | A | A | A | E | A | A | |
| C600 | Y | Y | Y | S | Y | F | |
| S601 | A | S | A | S | S | K | |
| Site B | V191 | V | V | V | V | V | V |
| A287 | A | A | A | A | A | A | |
| H288 | H | H | H | H | H | H | |
| F314 | F | F | F | A | F | L | |
| T316 | T | T | T | T | T | T | |
| P320 | P | P | P | P | P | P | |
| E413 | E | I | S | I | E | E | |
| T449 | T | T | T | S | T | T | |
| S452 | S | S | S | S | S | S | |
| Y508 | Y | Y | Y | Y | Y | Y | |
| P510 | P | P | P | V | P | P |
Comparison of the binding sites A (cyan background) and B (lime green background) was based on 3D structural superposition. For TBEV, no NS3-Hel structure is available and, therefore, the analysis was based on sequence alignment. Residues that are identical to those in ZIKV NS3-Hel are shown in bold.