3KER

d-dopachrome tautomerase (d-dt)/ macrophage migration inhibitory factor 2 (mif2) complexed with inhibitor 4-ipp

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 102
  • Norm. En. per Res.: -5.1412
• Hub Node: A(3)

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	-119.2125	-23.1214	-382.067	-524.4009	102	23	2	14111	5	21	31
A-C	-89.5663	-21.0622	-386.887	-497.5156	104	21	2	13973	4	21	31
A-D	-4.5895	-2.8508	-36.3485	-43.7888	23	13	0	1663	0	4	3
B-C	-109.9667	-20.5565	-385.116	-515.6392	106	14	3	14053	5	21	31
C-D	0.0	-45.6713	-39.1626	-84.8339	29	6	1	1931	1	8	13

Interface residues

• A-B: ALA104A, ALA11A, ALA24A, ALA27A, ALA57B, ALA70B, ALA78B, ARG21A, ARG36A, ARG42A, ARG42B, ARG74B, ARG94B, ARG98B, ASN20A, ASN50B, ASN73B, ASN8B, ASP35A, ASP91B, ASP93B, CYS23A, CYS56B, GLN106A, GLN72B, GLN92B, GLU103A, GLU19A, GLU34A, GLU4A, GLU4B, GLU6A, GLU6B, GLU71B, GLY108A, GLY111A, GLY17A, GLY44B, GLY68B, HIS58B, HIS76B, ILE107A, ILE14A, ILE41A, ILE95B, ILE97B, LEU102A, LEU117A, LEU18A, LEU22A, LEU47B, LEU48B, LEU59B, LEU5A, LEU60A, LEU60B, LYS109A, LYS110A, LYS51B, LYS82B, MET114A, MET45A, MET45B, MET49B, PHE100A, PHE100B, PHE116A, PHE2A, PHE80B, PHE81B, PHE99B, PRO101A, PRO101B, PRO1A, PRO33A, PRO43A, PRO43B, SER38A, SER52B, SER62A, SER63A, SER77B, SER79B, THR112A, THR115A, THR40A, THR46B, THR53B, THR69B, THR75B, THR7B, THR85B, TRP105A, VAL113A, VAL37A, VAL39A, VAL3A, VAL61A, VAL61B, VAL66B, VAL67B, VAL96B
• A-C: ALA104C, ALA11C, ALA16C, ALA24C, ALA27C, ALA57A, ALA70A, ALA78A, ARG21C, ARG36C, ARG42A, ARG42C, ARG74A, ARG94A, ARG98A, ASN20C, ASN50A, ASN73A, ASN8A, ASP35C, ASP91A, ASP93A, CYS23C, CYS56A, GLN106C, GLN72A, GLN92A, GLU103C, GLU19C, GLU34C, GLU4A, GLU4C, GLU6A, GLU6C, GLU71A, GLY108C, GLY111C, GLY17C, GLY44A, GLY68A, HIS58A, HIS76A, ILE107C, ILE14C, ILE41C, ILE95A, ILE97A, LEU102C, LEU117C, LEU18C, LEU22C, LEU47A, LEU48A, LEU59A, LEU5C, LEU60A, LEU60C, LYS109C, LYS110C, LYS51A, LYS82A, MET114C, MET45A, MET45C, MET49A, PHE100A, PHE100C, PHE116C, PHE2C, PHE80A, PHE81A, PHE99A, PRO101A, PRO101C, PRO1C, PRO33C, PRO43A, PRO43C, SER38C, SER52A, SER62C, SER63C, SER77A, SER79A, THR112C, THR115C, THR26C, THR40C, THR46A, THR53A, THR69A, THR75A, THR7A, THR85A, TRP105C, VAL113C, VAL37C, VAL39C, VAL3C, VAL61A, VAL61C, VAL66A, VAL67A, VAL96A
• A-D: ALA11D, ALA16D, ARG13D, ARG94A, ASN50A, ASN8A, GLU54A, ILE14D, LEU48A, LEU88D, LEU90D, LEU9D, LYS51A, MET49A, PRO10D, PRO15D, PRO55A, PRO55D, SER12D, SER52A, SER89D, THR46A, THR53A
• B-C: ALA104B, ALA11B, ALA16B, ALA24B, ALA27B, ALA57C, ALA70C, ALA78C, ARG21B, ARG36B, ARG42B, ARG42C, ARG74C, ARG94C, ARG98C, ASN20B, ASN50C, ASN73C, ASN8C, ASP35B, ASP91C, ASP93C, CYS23B, CYS56C, GLN106B, GLN72C, GLN92C, GLU103B, GLU19B, GLU34B, GLU4B, GLU4C, GLU6B, GLU6C, GLU71C, GLY108B, GLY111B, GLY17B, GLY44B, GLY44C, GLY68C, HIS58C, HIS76C, ILE107B, ILE14B, ILE41B, ILE95C, ILE97C, LEU102B, LEU117B, LEU18B, LEU22B, LEU47C, LEU48C, LEU59C, LEU5B, LEU60B, LEU60C, LYS109B, LYS110B, LYS51C, LYS82C, MET114B, MET45B, MET45C, MET49C, PHE100B, PHE100C, PHE116B, PHE2B, PHE80C, PHE81C, PHE99C, PRO101B, PRO101C, PRO15B, PRO1B, PRO33B, PRO43B, PRO43C, SER38B, SER52C, SER62B, SER63B, SER77C, SER79C, THR112B, THR115B, THR26B, THR40B, THR46C, THR53C, THR69C, THR75C, THR7C, THR85C, TRP105B, VAL113B, VAL37B, VAL39B, VAL3B, VAL61B, VAL61C, VAL66C, VAL67C, VAL96C
• C-D: ALA16C, ALA16D, ALA24C, ARG13D, ARG21C, ARG21D, ARG36C, ASN20C, ASN20D, ASP35C, CYS23C, GLU19C, GLU19D, GLU34C, GLU86D, GLU87C, GLU87D, GLY17C, GLY17D, ILE14C, ILE14D, LEU18C, LEU18D, LEU88D, PHE83C, PRO15C, PRO15D, SER12D, SER89D