3I6T

crystal structure of muconate cycloisomerase from jannaschia sp.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 115
  • Norm. En. per Res.: -3.3599
• 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	-6.4578	-11.6689	-45.9782	-64.1049	47	1	1	2524	2	18	14
A-C	-45.5214	39.0862	-279.085	-285.5202	134	13	8	11945	1	54	40
B-C	0.0	0.0	-0.0207	-0.0207	3	0	0	14	0	3	4
B-D	-52.0609	-106.7977	-227.53	-386.3886	115	4	18	8436	13	56	51

Interface residues

• A-B: ALA152B, ALA22B, ALA44A, ALA83A, ALA9A, ARG156B, ARG23B, ARG41A, ARG76A, ARG82A, ASP144B, ASP146B, ASP148B, ASP150B, ASP159B, ASP160B, ASP333B, ASP45A, ASP72A, CYS332B, GLN155B, GLN43A, GLN6A, GLY10A, GLY47A, GLY81A, ILE7A, ILE8A, LEU13A, LEU151B, LEU153B, LEU157B, LEU331B, LEU80A, LYS149B, PHE11A, PHE330B, PRO339B, PRO77A, SER46A, SER5A, THR12A, THR21B, THR328B, TYR329B, VAL20B, VAL79A
• A-C: ALA117A, ALA117C, ALA120A, ALA120C, ALA126A, ALA126C, ALA257A, ALA257C, ALA283A, ALA283C, ALA286A, ALA286C, ALA287A, ALA287C, ALA288A, ALA288C, ALA313A, ALA313C, ALA314A, ALA314C, ALA83A, ALA83C, ALA88A, ALA88C, ALA89A, ALA89C, ARG116A, ARG116C, ARG131A, ARG131C, ARG133A, ARG133C, ARG278A, ARG278C, ARG284A, ARG284C, ARG289A, ARG289C, ARG82A, ARG82C, ARG95A, ARG95C, ASP109A, ASP109C, ASP134A, ASP134C, ASP255A, ASP255C, ASP351A, ASP351C, ASP3A, ASP86A, ASP86C, ASP93A, ASP93C, CYS132A, CYS132C, GLN280A, GLN280C, GLN4A, GLN6A, GLN6C, GLU254A, GLU254C, GLU258A, GLU258C, GLU317A, GLU317C, GLU92A, GLU92C, GLY121A, GLY121C, GLY129A, GLY129C, GLY130A, GLY130C, GLY252A, GLY252C, GLY290A, GLY290C, GLY85A, GLY85C, HIS259A, HIS259C, HIS87A, HIS87C, ILE119A, ILE119C, ILE90A, ILE90C, LEU112A, LEU112C, LEU127A, LEU127C, LEU128A, LEU128C, LEU276A, LEU276C, MET256A, MET256C, MET285A, MET285C, MET91A, MET91C, PRO123A, PRO123C, PRO253A, PRO253C, PRO260A, PRO260C, PRO316A, PRO316C, PRO350C, PRO353C, SER5A, THR277A, THR277C, THR281A, THR281C, THR315A, THR315C, THR352C, TRP125A, TRP125C, TYR113A, TYR113C, VAL122A, VAL122C, VAL124A, VAL124C, VAL282A, VAL282C, VAL84A, VAL84C
• B-C: ARG135C, ARG366B, ASP134C
• B-D: ALA227B, ALA227D, ALA257B, ALA257D, ALA34B, ALA34D, ALA66B, ALA66D, ALA69B, ALA69D, ALA70B, ALA70D, ALA94D, ALA96B, ALA96D, ALA97B, ALA97D, ALA99B, ALA99D, ARG230B, ARG230D, ARG278B, ARG278D, ARG73B, ARG73D, ARG95B, ARG95D, ASP255B, ASP255D, ASP72B, ASP72D, ASP93D, CYS101B, CYS101D, GLN199B, GLN199D, GLU103B, GLU103D, GLU254B, GLU254D, GLU258B, GLU258D, GLU36B, GLU36D, GLU65B, GLU65D, GLU92B, GLU92D, GLY231B, GLY231D, GLY27B, GLY29B, GLY62B, GLY62D, HIS100B, HIS100D, HIS15B, HIS15D, HIS202B, HIS202D, HIS228B, HIS228D, HIS259B, HIS259D, ILE262B, ILE262D, ILE28B, LEU229B, LEU229D, LEU232D, LEU75D, LEU78B, LEU78D, LYS105B, LYS105D, LYS226B, LYS226D, PHE251B, PHE251D, PHE60B, PHE60D, PRO253B, PRO253D, PRO56B, PRO56D, SER17B, SER17D, SER249B, SER249D, SER63B, SER63D, THR102B, THR102D, THR61B, THR61D, THR67B, THR67D, TRP57B, TRP57D, TYR68B, TYR68D, TYR74B, TYR74D, VAL35B, VAL35D, VAL369B, VAL369D, VAL58B, VAL58D, VAL59B, VAL59D, VAL64B, VAL64D, VAL98B, VAL98D