2BRE

structure of a hsp90 inhibitor bound to the n-terminus of yeast hsp90.

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 77
  • Norm. En. per Res.: -3.8233
• 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	-110.9394	27.0356	-210.492	-294.3958	77	14	8	8802	1	41	38

Interface residues

• A-B: ALA202A, ARG196A, ARG196B, ARG65A, ARG65B, ASP61A, ASP61B, GLN206A, GLN206B, GLN72B, GLU165A, GLU165B, GLU187A, GLU187B, GLU192A, GLU192B, GLU199A, GLU199B, GLU212A, GLU212B, GLU214B, GLU216B, GLU71A, GLU71B, HIS197A, ILE190A, ILE190B, ILE194A, ILE194B, ILE205A, ILE205B, ILE219B, ILE35B, ILE64A, ILE64B, ILE66A, ILE66B, LEU207A, LEU207B, LEU31A, LEU31B, LYS188A, LYS191A, LYS191B, LYS195A, LYS195B, LYS211A, LYS211B, LYS215B, PHE200A, PHE63A, PHE63B, PRO204A, PRO204B, PRO218B, PRO60A, PRO68B, PRO70B, SER198A, SER198B, THR210A, THR210B, THR67A, THR67B, TYR203A, TYR203B, VAL193A, VAL193B, VAL201A, VAL201B, VAL208A, VAL208B, VAL209A, VAL209B, VAL213A, VAL213B, VAL217B