3H44

crystal structure of insulin degrading enzyme in complex with macrophage inflammatory protein 1 alpha

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 100
  • Norm. En. per Res.: -2.8697
• 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	-3.9218	-11.4521	-150.459	-165.8329	94	6	0	7292	5	75	72
A-C	-62.3524	-2.2348	-222.385	-286.9722	100	7	3	8277	0	15	25
B-D	-47.1069	-1.8022	-156.894	-205.8031	86	14	3	6469	0	5	7

Interface residues

• A-B: ALA161A, ALA419B, ALA452B, ALA881A, ARG164A, ARG423B, ARG460B, ARG49B, ASN528B, ASN52B, ASN979A, ASP163A, ASP175A, ASP416B, ASP60B, ASP876A, ASP935A, GLN129A, GLN167A, GLN407B, GLN412B, GLN883A, GLU124A, GLU126A, GLU133A, GLU159A, GLU404B, GLU408B, GLU413B, GLU447B, GLU448B, GLU457B, GLU458B, GLU529B, GLU536B, GLU59B, GLU875A, GLU879A, GLU880A, GLU934A, GLY160A, GLY405B, GLY51B, HIS134A, HIS157A, HIS53B, ILE50B, ILE531B, ILE537B, ILE54B, ILE874A, ILE937A, LEU173A, LEU274A, LEU455B, LEU456B, LYS119A, LYS120A, LYS123A, LYS273A, LYS327B, LYS415B, LYS527B, LYS56B, LYS61B, LYS872A, LYS884A, LYS933A, LYS938A, MET877A, PHE130A, PHE411B, PHE422B, PHE459B, PHE882A, PRO122A, PRO406B, PRO445B, PRO461B, PRO58B, SER328B, SER57B, SER873A, THR118A, THR451B, THR526B, THR533B, THR55B, THR878A, THR932A, TRP409B, TYR121A, TYR326B, VAL410B
• A-C: ALA140A, ALA185A, ALA198A, ALA1C, ALA4C, ARG17C, ARG19C, ARG200A, ARG431A, ARG824A, ASN139A, ASN148A, ASN193A, ASN196A, ASN376A, ASN605A, ASP197A, GLN111A, GLN203A, GLN20C, GLN363A, GLU182A, GLU189A, GLU341A, GLU365A, GLU612A, GLY105A, GLY144A, GLY219A, GLY221A, GLY331A, GLY335A, GLY339A, GLY342A, GLY361A, GLY362A, HIS108A, HIS112A, HIS146A, HIS190A, HIS332A, HIS336A, HIS340A, ILE338A, ILE374A, ILE375A, ILE832A, LEU114A, LEU116A, LEU201A, LEU334A, LEU337A, LEU347A, LEU359A, LEU3C, LEU414A, LEU613A, LYS16C, LYS192A, LYS206A, LYS364A, LYS436A, MET113A, MET371A, PHE109A, PHE115A, PHE141A, PHE168A, PHE202A, PHE218A, PHE372A, PHE373A, PHE820A, PHE834A, SER107A, SER128A, SER137A, SER138A, SER143A, SER18C, SER2C, SER345A, SER435A, SER96A, THR142A, THR147A, THR220A, THR358A, TRP199A, TYR127A, TYR149A, TYR150A, TYR333A, TYR496A, TYR609A, TYR831A, VAL186A, VAL21C, VAL360A, VAL833A
• B-D: ALA140B, ALA185B, ALA1D, ALA4D, ARG19D, ARG431B, ARG824B, ASN139B, ASN148B, ASN193B, ASN376B, GLN111B, GLN20D, GLN363B, GLU182B, GLU189B, GLU341B, GLU365B, GLU612B, GLY105B, GLY219B, GLY221B, GLY331B, GLY335B, GLY339B, GLY342B, GLY361B, GLY362B, HIS108B, HIS112B, HIS332B, HIS336B, HIS340B, ILE338B, ILE374B, ILE375B, ILE832B, LEU110B, LEU114B, LEU116B, LEU334B, LEU337B, LEU347B, LEU359B, LEU3D, LEU414B, LEU613B, LYS192B, LYS364B, MET113B, MET371B, PHE109B, PHE115B, PHE141B, PHE168B, PHE202B, PHE218B, PHE372B, PHE373B, PHE820B, PHE834B, SER128B, SER137B, SER138B, SER143B, SER18D, SER2D, SER435B, SER96B, THR142B, THR147B, THR220B, THR358B, THR825B, TRP199B, TYR127B, TYR149B, TYR150B, TYR333B, TYR496B, TYR609B, TYR831B, VAL186B, VAL21D, VAL360B, VAL833B