2HG1

n-domain of grp94 in complex with the novel ligand n-(2- hydroxyl)ethyl carboxyamido adenosine

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 55
  • Norm. En. per Res.: -4.0762
• 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	-37.8005	-85.3003	-101.09	-224.1908	55	8	1	3796	8	20	23

Interface residues

• A-B: ALA77A, ALA77B, ALA80A, ALA80B, ARG84A, ARG84B, ASN228A, ASN228B, ASN83A, ASN83B, ASP226A, ASP226B, GLN79A, GLN79B, GLU183A, GLU183B, GLU224A, GLU224B, GLU229A, GLU229B, GLU253A, GLU253B, GLU81A, GLU81B, ILE90A, ILE90B, LEU88A, LEU88B, LYS208A, LYS208B, LYS252A, LYS252B, LYS72A, LYS75A, LYS75B, LYS87A, LYS87B, MET85A, MET85B, MET86A, MET86B, PHE203A, PHE203B, PHE230A, PHE230B, PHE76A, PHE76B, PHE78A, PHE78B, SER225A, SER225B, SER227A, SER227B, VAL82A, VAL82B