3IK4

crystal structure of mandelate racemase/muconate lactonizing protein from herpetosiphon aurantiacus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 132
  • Norm. En. per Res.: -3.2332
• 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	-37.2939	-40.0596	-349.432	-426.7855	132	7	16	14208	6	15	31
A-C	0.0	-4.7734	-10.5262	-15.2996	33	0	1	886	0	11	10
A-D	-3.3563	0.0	-28.9073	-32.2636	37	4	0	1576	0	9	16
B-C	0.0	0.0	-3.4771	-3.4771	17	0	0	395	0	2	2
B-D	-9.7508	-25.6875	-36.1257	-71.564	66	4	0	2472	1	24	15
C-D	0.0	0.0	-25.6567	-25.6567	40	0	3	1455	0	6	11

Interface residues

• A-B: ALA250A, ALA250B, ALA257A, ALA257B, ALA275A, ALA275B, ALA282A, ALA282B, ALA284A, ALA284B, ALA286A, ALA286B, ALA287A, ALA287B, ALA311A, ALA311B, ALA346A, ALA346B, ALA349A, ALA349B, ALA87A, ALA87B, ALA88A, ALA88B, ARG114A, ARG114B, ARG255A, ARG255B, ARG258A, ARG258B, ARG81A, ARG81B, ARG84A, ARG84B, ASN313A, ASN313B, ASP252A, ASP252B, ASP347A, ASP347B, ASP79A, ASP79B, GLN285A, GLN285B, GLU259A, GLU259B, GLU276A, GLU276B, GLY125A, GLY125B, GLY126A, GLY126B, GLY260A, GLY288A, GLY288B, GLY312A, GLY312B, GLY314A, GLY314B, GLY82A, GLY82B, HIS115A, HIS115B, HIS117A, HIS117B, HIS121A, HIS121B, HIS251A, HIS251B, ILE256A, ILE281A, ILE281B, ILE283A, ILE283B, LEU109A, LEU109B, LEU112A, LEU112B, LEU120B, LEU1A, LEU1B, LEU254A, LEU254B, LEU278A, LEU278B, LEU289A, LEU289B, LEU291B, LEU309A, LEU309B, LEU86A, LEU86B, LYS129A, LYS129B, LYS279A, LYS279B, LYS85A, LYS85B, MET118A, MET118B, MET280A, MET280B, MET89B, PHE123A, PHE123B, PHE124A, PHE124B, PRO119A, PRO119B, PRO2B, SER128A, SER128B, SER249A, SER249B, THR113A, THR113B, THR3A, THR3B, TRP83A, TRP83B, TYR116A, TYR116B, VAL122A, VAL122B, VAL127A, VAL127B, VAL253A, VAL253B, VAL348A, VAL348B, VAL80A, VAL80B
• A-C: ALA10C, ALA12C, ALA228A, ALA41C, ALA7C, ARG224A, ARG255A, ARG258A, ASP197A, ASP226A, ASP42C, GLN232A, GLN39C, GLN6C, GLN72C, GLU11C, GLU225A, GLU259A, GLY229A, GLY357C, GLY43C, HIS251A, HIS95A, ILE8C, LEU222A, LEU40C, LEU76C, LYS37C, PRO223A, SER0C, SER9C, TRP227A, VAL198A
• A-D: ALA78A, ALA78D, ALA88D, ALA93D, ARG70D, ARG81A, ASP79A, ASP91D, GLN6A, GLN72D, GLU94D, GLU96D, GLY77A, GLY82A, HIS251D, HIS74A, HIS74D, HIS92A, HIS92D, HIS95D, ILE5A, LEU1A, LEU71D, LEU75A, LEU75D, LEU76A, LEU76D, LEU86A, LYS85A, LYS85D, MET89A, MET89D, PRO2A, SER0A, SER73A, SER73D, THR4A
• B-C: ALA235B, ALA29C, ALA32C, ALA55C, ASN14C, GLN232B, GLN236B, GLN61C, GLU19C, GLY238B, GLY260B, LYS209B, PHE239B, SER237B, THR234B, THR62C, VAL30C
• B-D: ALA165D, ALA182B, ALA183B, ALA186B, ALA210B, ALA346B, ALA55D, ALA66D, ALA67D, ALA93D, ALA97D, ARG200D, ARG70D, ASN193D, ASP168D, ASP197D, ASP226D, ASP347B, CYS194D, GLN130B, GLN181B, GLN338B, GLN344B, GLN61D, GLU132B, GLU199D, GLU211B, GLU225D, GLU59D, GLU94D, GLU96D, GLY156B, GLY166D, GLY195D, GLY340B, GLY341B, GLY58D, GLY63D, HIS180B, HIS92D, HIS95D, LEU131B, LEU345B, LYS129B, LYS150B, LYS158B, PHE53D, PRO184B, PRO187B, PRO214B, PRO223D, PRO54D, SER128B, SER212B, SER57D, THR185B, THR339B, THR342B, THR60D, THR62D, TYR196D, VAL127B, VAL167D, VAL198D, VAL216B, VAL56D
• C-D: ALA139C, ALA145C, ALA146C, ALA147C, ALA149C, ALA151C, ALA154C, ALA203D, ALA206D, ALA228D, ALA231D, ALA235D, ALA328C, ARG155C, ARG255D, ARG258D, ASP226D, GLN232D, GLN236D, GLU199D, GLU19C, GLU259D, GLU329C, GLY229D, GLY238D, GLY260D, HIS144C, ILE152C, LEU17C, LEU202D, LYS150C, LYS209D, SER148C, SER237D, THR138C, THR18C, THR234D, VAL143C, VAL198D, VAL233D