2F29

crystal structure of the human sialidase neu2 q116e mutant in complex with dana inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 104
  • Norm. En. per Res.: -2.83
• Hub Node: A(1)

All Interactions

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
A-B	-59.5831	-37.1556	-197.582	-294.3207	104	11	0	8167	5	25	22

Interface residues

• A-B: ALA17A, ALA17B, ALA2A, ALA2B, ALA328A, ALA328B, ALA356A, ALA61A, ALA61B, ALA70A, ALA70B, ARG55A, ARG55B, ARG56A, ARG56B, ASN357A, ASN357B, ASP358A, ASP358B, ASP58A, ASP58B, ASP60A, ASP60B, GLN14A, GLN14B, GLN371A, GLN371B, GLN65A, GLN65B, GLN67A, GLN67B, GLN69A, GLN69B, GLN71A, GLN71B, GLN8A, GLN8B, GLU10A, GLU10B, GLU360A, GLU360B, GLU361A, GLU361B, GLY16A, GLY16B, GLY330B, GLY57A, GLY57B, HIS18A, HIS18B, HIS64A, HIS64B, LEU326A, LEU326B, LEU327A, LEU327B, LEU365A, LEU365B, LEU4A, LEU4B, LEU7A, LEU7B, LYS329A, LYS329B, LYS44A, LYS44B, LYS9A, LYS9B, MET1A, MET1B, PHE13A, PHE13B, PHE364A, PHE364B, PRO344B, PRO5A, PRO5B, PRO62A, PRO62B, SER11A, SER11B, SER15A, SER15B, SER3A, SER3B, THR63A, THR63B, TRP68A, TRP68B, TYR20A, TYR20B, TYR354A, TYR354B, TYR359B, TYR59A, TYR59B, VAL12A, VAL12B, VAL363A, VAL363B, VAL66A, VAL66B, VAL6A, VAL6B