3O2F

structure of the n-domain of grp94 bound to the hsp90 inhibitor pu-h54

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 117
  • Norm. En. per Res.: -2.4764
• 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	-20.2575	-35.3937	-234.091	-289.7422	117	5	7	11487	3	25	28

Interface residues

• A-B: ALA181A, ALA77A, ALA77B, ALA80A, ALA80B, ARG102A, ARG102B, ARG70A, ARG84A, ARG84B, ASN107A, ASN176A, ASN266A, ASN83A, ASN83B, ASN91A, ASN91B, ASN96A, ASN96B, ASP110A, ASP184A, GLN186A, GLN194A, GLN194B, GLN273A, GLN273B, GLN79A, GLN79B, GLU103A, GLU103B, GLU173B, GLU180A, GLU190A, GLU190B, GLU71A, GLU74B, GLU81A, GLU81B, GLU98A, GLU98B, GLY170A, GLY185A, GLY193A, GLY193B, GLY196A, GLY196B, GLY198A, ILE166B, ILE192A, ILE192B, ILE89A, ILE89B, ILE90A, ILE90B, ILE99A, ILE99B, LEU104A, LEU175A, LEU175B, LEU191A, LEU267A, LEU267B, LEU88A, LEU88B, LEU93A, LEU93B, LYS168B, LYS177A, LYS269A, LYS270A, LYS270B, LYS75A, LYS75B, LYS87A, LYS87B, LYS95A, LYS95B, LYS97B, MET178A, MET85A, MET85B, MET86A, MET86B, PHE174A, PHE174B, PHE195A, PHE195B, PHE274A, PHE76A, PHE76B, PHE78B, SER106A, SER169A, SER169B, SER187A, SER189A, SER189B, SER201A, SER272A, SER272B, SER73A, SER92A, SER92B, THR179A, THR188A, THR188B, TYR200A, TYR200B, TYR258B, TYR271A, TYR271B, TYR94A, TYR94B, VAL197A, VAL197B, VAL82A, VAL82B