Protein name and drug name | Type of docking | Docking score | Binding energy (kcal/mol) | Complex energy (kcal/mol) | Interacting residues |
---|---|---|---|---|---|
2WGJ | PDB(P6) | 139.105 | − 44.14 | − 11,179.9569 | MET1160,PRO1158,ASP1164 |
DRUG-CRIZOTINIB | RC(S2,P4) | 137.169 | − 15.3749 | − 11,155.5712 | ASP1164,PRO1158,MET1160 |
DIRECT(P2) | 106.855 | 114.7614 | − 11,028.5560 | ASP1164,PRO1158,MET1160 | |
MOTIF | – | – | – | – | |
3ZBF | PDB(P6) | 113.349 | − 106.9428 | − 11,509.9762 | ASP2033,GLU2027,MET2029 |
DRUG-CRIZOTINIB | RC(S1,P4) | 92.346 | 62.0108 | − 11,400.4896 | GLU2027,MET2029 |
DIRECT(P3) | 98.9302 | − 20.1590 | − 11,473.5427 | GLU2027,MET2029 | |
MOTIF(P1) | 114.545 | − 112.0438 | − 11,514.2552 | ASP2033,GLU2027, MET2029 | |
2XP2 | PDB(P10) | 111.801 | − 135.9488 | − 11,600.2395 | GLU1197, MET1199 |
DRUG-CRIZOTINIB | RC(S1, P8) | 108.615 | − 189.7012 | − 11,666.7948 | GLU1197, MET1199 |
DIRECT(P1) | 118.508 | − 193.8604 | − 11,648.2048 | GLU1197,MET1199, ASP1203, SER1206 | |
MOTIF(P9) | 107.35 | − 176.1679 | − 11,656.9972 | GLU1197,MET1199,ASP1203 |