3IN7

crystal structure of the grb2 sh2 domain in complex with a cyclopropyl-constrained ac-py-q-n-nh2 tripeptide mimic

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 99
  • Norm. En. per Res.: -4.334
• 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-C	-110.9612	-7.8706	-310.236	-429.0678	99	12	1	11370	2	32	43

Interface residues

• A-C: ALA115A, ALA115C, ALA70A, ALA70C, ALA91A, ALA91C, ARG112A, ARG112C, ARG86A, ARG86C, ASN126A, ASN126C, ASN129A, ASN129C, ASP113A, ASP133A, ASP133C, ASP150A, ASP150C, ASP94A, ASP94C, GLN153A, GLN153C, GLN77A, GLN77C, GLU130A, GLU130C, GLU152A, GLU152C, GLU72A, GLU72C, GLU87A, GLU87C, GLU89A, GLU89C, GLY116A, GLY116C, GLY63A, GLY63C, GLY93A, GLY93C, HIS58A, HIS58C, ILE151A, ILE151C, ILE65A, ILE65C, ILE85A, ILE85C, LEU128A, LEU128C, LEU131A, LEU131C, LEU84A, LEU84C, LYS117A, LYS117C, LYS56A, LYS56C, LYS64A, LYS64C, LYS69A, LYS69C, LYS76A, MET55A, MET55C, MET73A, MET73C, PHE125A, PHE125C, PHE61A, PHE61C, PHE62A, PHE62C, PHE83A, PHE83C, PHE95A, PHE95C, PRO57A, PRO57C, PRO59A, PRO59C, PRO66A, PRO66C, PRO92A, PRO92C, SER127A, SER127C, SER88A, SER88C, TRP60A, TRP60C, TYR118A, TYR118C, VAL110A, VAL110C, VAL132A, VAL132C, VAL154C