3IMJ

crystal structure of the grb2 sh2 domain in complex with a cyclopropyl-constrained ac-ptyr-ile-asn-nh2 tripeptide mimic

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 96
  • Norm. En. per Res.: -4.3834
• 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	-103.6741	-14.8035	-302.331	-420.8087	96	15	1	11247	4	31	42

Interface residues

• A-B: ALA115A, ALA115B, ALA70A, ALA70B, ALA91A, ALA91B, ARG112A, ARG112B, ARG86A, ARG86B, ASN126A, ASN126B, ASN129A, ASN129B, ASP133A, ASP133B, ASP150B, ASP94A, ASP94B, GLN153A, GLN153B, GLN77A, GLU130A, GLU130B, GLU72A, GLU72B, GLU87A, GLU87B, GLU89A, GLU89B, GLY116A, GLY116B, GLY63A, GLY63B, GLY93A, GLY93B, HIS58A, HIS58B, ILE151A, ILE151B, ILE65A, ILE65B, ILE85A, ILE85B, LEU128A, LEU128B, LEU131A, LEU131B, LEU84A, LEU84B, LYS117A, LYS117B, LYS56A, LYS56B, LYS64A, LYS64B, LYS69A, LYS69B, LYS76A, LYS76B, MET55A, MET73A, MET73B, PHE125A, PHE125B, PHE61A, PHE61B, PHE62A, PHE62B, PHE83A, PHE95A, PHE95B, PRO155A, PRO155B, PRO57A, PRO57B, PRO59A, PRO59B, PRO66A, PRO66B, PRO92A, PRO92B, SER127A, SER127B, SER88A, SER88B, TRP60A, TRP60B, TYR118A, TYR118B, VAL110A, VAL110B, VAL132A, VAL132B, VAL154A, VAL154B