2G47

crystal structure of human insulin-degrading enzyme in complex with amyloid-beta (1-40)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 104
  • Norm. En. per Res.: -3.932
• Hub Node: A(2)

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	-67.7909	-62.2521	-298.449	-428.492	145	20	3	14201	6	53	30
A-C	-75.9554	18.0223	-297.434	-355.3671	103	11	6	9751	1	28	27
B-D	-97.946	1.4	-312.381	-408.927	104	11	6	10023	3	26	27

Interface residues

• A-B: ALA694A, ALA694B, ALA703A, ALA703B, ALA714A, ALA714B, ALA753A, ALA753B, ARG1000A, ARG1000B, ARG711A, ARG711B, ARG722A, ARG722B, ARG765A, ARG765B, ARG767A, ARG767B, ASN591A, ASN994A, ASN994B, ASP586A, ASP586B, ASP698A, ASP698B, ASP705A, ASP705B, ASP706A, ASP706B, GLN718A, GLN718B, GLN762A, GLN762B, GLN770A, GLN770B, GLN914A, GLN914B, GLN915A, GLN915B, GLU692A, GLU692B, GLU699A, GLU699B, GLU702A, GLU702B, GLU768A, GLU768B, GLU990A, GLU990B, GLU997A, GLU997B, GLY1001A, GLY1001B, HIS589A, HIS589B, HIS754A, HIS754B, ILE843B, LEU1002A, LEU1002B, LEU1004A, LEU1004B, LEU1007A, LEU1007B, LEU588A, LEU588B, LEU700A, LEU700B, LEU704A, LEU704B, LEU758A, LEU758B, LEU759A, LEU759B, LEU763A, LEU763B, LYS1009A, LYS1009B, LYS558B, LYS756A, LYS756B, LYS999A, LYS999B, MET592A, MET592B, MET799A, MET799B, MET995A, MET995B, PHE1005A, PHE1005B, PHE582A, PHE582B, PHE715A, PHE715B, PHE777A, PHE777B, PHE998A, PHE998B, PRO1003A, PRO1003B, PRO1006A, PRO1006B, PRO1010A, PRO1010B, PRO581A, PRO581B, PRO587A, PRO587B, PRO717A, PRO717B, PRO757A, PRO757B, PRO760A, PRO760B, SER721A, SER721B, SER761A, SER761B, SER913A, SER913B, THR696A, THR696B, THR755A, THR755B, THR996A, THR996B, TRP695A, TRP695B, TYR584B, TYR766A, TYR766B, TYR916A, TYR916B, VAL1008A, VAL1008B, VAL585A, VAL585B, VAL693A, VAL693B, VAL707A, VAL764A, VAL764B, VAL769A, VAL769B
• A-C: ALA140A, ALA185A, ALA198A, ALA21C, ALA2C, ARG200A, ARG431A, ARG824A, ASN139A, ASN148A, ASN193A, ASN196A, ASN376A, ASN605A, ASN821A, ASP197A, ASP1C, ASP23C, GLN111A, GLN203A, GLN363A, GLN677A, GLU124A, GLU145A, GLU182A, GLU189A, GLU22C, GLU341A, GLU365A, GLU3C, GLU612A, GLY105A, GLY144A, GLY219A, GLY221A, GLY331A, GLY335A, GLY339A, GLY342A, GLY361A, GLY362A, HIS108A, HIS112A, HIS146A, HIS190A, HIS332A, HIS336A, HIS340A, HIS679A, ILE338A, ILE374A, ILE375A, ILE832A, LEU114A, LEU116A, LEU17C, LEU201A, LEU334A, LEU337A, LEU347A, LEU359A, LEU613A, LYS16C, LYS192A, LYS206A, LYS364A, MET113A, PHE109A, PHE115A, PHE141A, PHE19C, PHE202A, PHE20C, PHE218A, PHE373A, PHE820A, PHE834A, SER107A, SER128A, SER137A, SER138A, SER143A, SER345A, SER435A, SER96A, THR142A, THR147A, THR220A, THR358A, THR825A, TRP199A, TYR127A, TYR149A, TYR150A, TYR333A, TYR496A, TYR609A, TYR831A, VAL186A, VAL18C, VAL360A, VAL377A, VAL833A
• B-D: ALA140B, ALA185B, ALA198B, ALA21D, ALA2D, ARG200B, ARG431B, ARG824B, ASN139B, ASN148B, ASN193B, ASN196B, ASN376B, ASN605B, ASP197B, ASP1D, ASP23D, GLN111B, GLN203B, GLN363B, GLN677B, GLN680B, GLN851B, GLU124B, GLU182B, GLU189B, GLU22D, GLU341B, GLU365B, GLU3D, GLU612B, GLY105B, GLY144B, GLY219B, GLY221B, GLY331B, GLY335B, GLY339B, GLY342B, GLY361B, GLY362B, HIS108B, HIS112B, HIS146B, HIS190B, HIS332B, HIS336B, HIS340B, HIS679B, ILE338B, ILE374B, ILE375B, ILE832B, LEU114B, LEU116B, LEU17D, LEU201B, LEU334B, LEU337B, LEU347B, LEU359B, LEU613B, LYS16D, LYS192B, LYS206B, LYS364B, MET113B, PHE109B, PHE115B, PHE141B, PHE19D, PHE202B, PHE20D, PHE218B, PHE372B, PHE373B, PHE820B, PHE834B, SER107B, SER128B, SER137B, SER138B, SER143B, SER345B, SER435B, SER96B, THR142B, THR147B, THR220B, THR358B, THR825B, TRP199B, TYR127B, TYR149B, TYR150B, TYR333B, TYR496B, TYR609B, TYR831B, VAL186B, VAL18D, VAL360B, VAL377B, VAL833B