3BJM
crystal structure of human dpp-iv in complex with (1s,3s, 5s)-2-[(2s)- 2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1- yl)acetyl]-2- azabicyclo[3.1.0]hexane-3-carbonitrile (cas), (1s,3s,5s)-2-((2s)-2- amino-2-(3-hydroxyadamantan-1- yl)acetyl)-2-azabicyclo[3.1.0]hexane- 3-carbonitrile (iupac), or bms-477118
Total interactions analyzed 1
Total true interactions 1
Strongest Interaction Chains A-B
Int. Res. 198
Norm. En. per Res. -4.2723
Hub Node A(1)
Click on the Nodes or Edges in the network to see the details
Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
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Chains Hydro. Bond Ener. (kJ/mol) Elec. Ener. (kJ/mol) VDW. Ener. (kJ/mol) Tot. Stab. Ener. (kJ/mol) #int. res. # Short cont. #Hydr. int. #VDW pairs #salt bridges #Pot. fav. elec. int #Pot. unfav. elec. int int. res.
A-B -58.1876 -120.9519 -666.771 -845.9105 198 18 9 24109 8 53 38