PMC full text:
Published online 2020 Mar 10. doi: 10.1016/j.jinf.2020.02.026
Table 1
The interactions formed between the spike protein of COVID-19 and cell-surface GRP78 SBDβ upon docking with HADDOCK.
| Pep42 conformation at | HADDOCK score | PRODIGY binding affinity (kcal/mol) | H-bonding | Hydrophobic interaction | ||||
|---|---|---|---|---|---|---|---|---|
| number | Residues from the spike | Residues from GRP78 | number | Residues from the spike | Residues from GRP78 | |||
| Region I | −121.3 ±7.2 | −12.4 | 11 | R466 N343 N354 N354 D467 E340 G339 I468 I468 K356 T345 | T434 G489 S452 V453 T434 V490 G489 T434 K447 G454 G489 | 7 | E465 I468 W353 W353 A344 R346 R466 | V432 L436 T428 V429 V490 Q492 T428 |
| Region II | −124.6 ±9.8 | −10.1 | 12 | Y396 Y396 R357 R357 R466 R466 R466 F464 E516 E516 K356 N354 | S452 S452 Q449 I450 G454 T456 T456 G454 S452 Q492 T428 G430 | 10 | E340 E516 K356 K356 F429 W353 N354 R355 R355 R357 | V432 V490 T428 V429 V490 V453 V429 F451 V453 F451 |
| Region III | −86.7 ±4.6 | −14.0 | 9 | N460 N487 D420 L455 K417 Y421 Y421 Y473 Y505 | Q492 K447 S452 Q449 E427 I450 I450 S448 G430 | 3 | E406 K417 F486 | V429 V429 T441 |
| Region IV | −143.5 ±4.4 | −9.8 | 5 | E484 E484 N481 P479 N487 | T428 V429 S452 S452 T458 | 4 | E484 E484 F486 T478 | T428 V429 V457 V490 |