3I6E

crystal structure of muconate lactonizing enzyme from ruegeria pomeroyi.

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 119
  • Norm. En. per Res.: -3.1626
• Hub Node: A(4)

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	-19.8023	109.9321	-257.728	-167.5982	129	12	8	12378	4	48	46
A-C	0.0	-4.3377	-95.9639	-100.3016	56	1	2	3638	3	26	26
A-D	0.0	-3.7959	-93.6559	-97.4518	56	1	2	3576	3	25	26
A-G	-60.9899	-61.6686	-253.636	-376.2945	120	6	17	9321	17	57	66
B-C	-57.235	-54.287	-255.74	-367.2621	121	5	17	9265	18	56	65
B-E	-16.4151	-4.8839	-99.8115	-121.1105	56	2	2	3763	3	26	27
B-G	0.0	-6.4266	-93.4738	-99.9004	56	1	2	3679	3	26	26
C-E	-26.572	100.9039	-247.671	-173.3391	129	12	8	11902	2	46	47
C-H	0.0	-4.9575	-93.55	-98.5075	54	0	1	3561	3	25	26
D-F	-59.7161	-61.5564	-255.076	-376.3485	119	7	17	9367	18	58	65
D-G	-28.6749	105.3995	-261.228	-184.5034	129	15	8	12224	2	47	46
D-H	0.0	-3.9435	-95.9517	-99.8952	57	1	2	3727	3	25	27
E-F	-7.8312	-2.7433	-95.1086	-105.6832	56	2	2	3685	3	27	26
E-H	-51.3302	-53.6585	-257.639	-362.6277	120	7	17	9229	19	56	65
F-G	0.0	-4.2877	-97.8284	-102.1162	57	2	2	3754	3	26	27
F-H	-21.9858	83.9196	-223.688	-161.7543	129	12	9	11218	0	47	45

Interface residues

• A-B: ALA118A, ALA118B, ALA128A, ALA128B, ALA262A, ALA262B, ALA290A, ALA290B, ALA291A, ALA291B, ALA292A, ALA292B, ALA317A, ALA317B, ALA318A, ALA318B, ALA91A, ALA91B, ARG135A, ARG135B, ARG260A, ARG260B, ARG282A, ARG282B, ARG288A, ARG288B, ARG84A, ARG84B, ARG85A, ARG85B, ARG89A, ARG89B, ARG98A, ARG98B, ASN123A, ASN123B, ASP111A, ASP111B, ASP136A, ASP136B, ASP257A, ASP257B, ASP355A, ASP355B, ASP88A, ASP88B, ASP94A, ASP94B, CYS134A, CYS134B, GLN284A, GLN284B, GLU256A, GLU256B, GLU321A, GLU321B, GLU7A, GLU7B, GLU95A, GLU95B, GLY119A, GLY119B, GLY131A, GLY131B, GLY132A, GLY132B, GLY294A, GLY294B, GLY87A, GLY87B, HIS263A, HIS263B, HIS293A, HIS293B, ILE121A, ILE121B, ILE289A, ILE289B, ILE316A, ILE316B, ILE92A, ILE92B, LEU114A, LEU114B, LEU115A, LEU115B, LEU124A, LEU124B, LEU129A, LEU129B, LEU130A, LEU130B, LEU280A, LEU280B, LEU6A, LEU6B, LYS133A, LYS133B, MET258A, MET258B, MET315A, MET315B, MET93A, MET93B, PRO125A, PRO125B, PRO255A, PRO255B, PRO320A, PRO320B, SER122A, SER122B, THR281A, THR281B, THR285A, THR285B, THR319A, THR319B, THR323B, TRP127A, TRP127B, VAL259A, VAL259B, VAL286A, VAL286B, VAL86A, VAL86B, VAL90A, VAL90B
• A-C: ALA208C, ALA236A, ALA261A, ALA262A, ALA287A, ALA290A, ALA291A, ALA292A, ALA297A, ARG194A, ARG196A, ARG228C, ARG237C, ARG239A, ASP206C, ASP221A, ASP243A, ASP268A, CYS267A, GLN219A, GLU204C, GLU207C, GLU233C, GLU264A, GLU321A, GLY240A, GLY240C, GLY265A, GLY269A, GLY294A, GLY325A, HIS230C, HIS231C, HIS263A, HIS293A, ILE205C, ILE266A, ILE322A, LEU213C, LEU234C, LEU241C, LEU246A, LEU295A, LEU324A, MET235C, MET296A, PHE222A, PHE232C, PRO210C, PRO245A, THR242A, THR242C, THR323A, VAL209C, VAL227C, VAL244A
• A-D: ALA208A, ALA236D, ALA261D, ALA262D, ALA287D, ALA290D, ALA291D, ALA292D, ALA297D, ARG194D, ARG196D, ARG237A, ARG239D, ASP206A, ASP221D, ASP243D, ASP268D, CYS267D, GLN219D, GLU204A, GLU207A, GLU233A, GLU264D, GLU321D, GLY240A, GLY240D, GLY265D, GLY269D, GLY294D, HIS230A, HIS231A, HIS263D, HIS293D, ILE205A, ILE266D, ILE289D, ILE322D, LEU213A, LEU234A, LEU241A, LEU246D, LEU247D, LEU295D, LEU324D, MET235A, MET296D, PHE222D, PHE232A, PRO210A, PRO245D, THR242A, THR242D, THR323D, VAL209A, VAL227A, VAL244D
• A-G: ALA101A, ALA101G, ALA19A, ALA19G, ALA229A, ALA229G, ALA261A, ALA261G, ALA60A, ALA60G, ALA68A, ALA68G, ALA71A, ALA71G, ALA72A, ALA72G, ALA96A, ALA96G, ALA97A, ALA97G, ALA99A, ALA99G, ARG228A, ARG228G, ARG260A, ARG260G, ARG282A, ARG282G, ARG374A, ARG374G, ARG75A, ARG75G, ARG98A, ARG98G, ASP257A, ASP257G, ASP74A, ASP74G, ASP94A, ASP94G, CYS103A, CYS103G, CYS37A, CYS37G, GLN201A, GLN201G, GLU105A, GLU105G, GLU204A, GLU204G, GLU233A, GLU233G, GLU256A, GLU256G, GLU264A, GLU264G, GLU38A, GLU38G, GLU67A, GLU67G, GLU95A, GLU95G, GLY202A, GLY202G, GLY64A, GLY64G, HIS102A, HIS102G, HIS17A, HIS17G, HIS230A, HIS230G, HIS231A, HIS231G, HIS263A, HIS263G, ILE205A, ILE205G, LEU203A, LEU203G, LEU73A, LEU73G, LEU77G, LYS107A, LYS107G, PHE232A, PHE232G, PHE62A, PHE62G, PRO255A, PRO58A, PRO58G, PRO66A, PRO66G, SER69A, SER69G, THR104A, THR104G, THR63A, THR63G, THR65A, THR65G, TRP59A, TRP59G, TYR253A, TYR253G, TYR70A, TYR70G, TYR76A, TYR76G, VAL100A, VAL100G, VAL227A, VAL227G, VAL259A, VAL259G, VAL373A, VAL373G, VAL61A, VAL61G
• B-C: ALA101B, ALA101C, ALA19B, ALA19C, ALA229B, ALA229C, ALA261B, ALA261C, ALA60B, ALA60C, ALA68B, ALA68C, ALA71B, ALA71C, ALA72B, ALA72C, ALA96B, ALA96C, ALA97B, ALA97C, ALA99B, ALA99C, ARG228B, ARG228C, ARG260B, ARG260C, ARG282B, ARG282C, ARG374B, ARG374C, ARG75B, ARG75C, ARG98B, ARG98C, ASP257B, ASP257C, ASP74B, ASP74C, ASP94B, ASP94C, CYS103B, CYS103C, CYS37B, CYS37C, GLN201B, GLN201C, GLU105B, GLU105C, GLU204B, GLU204C, GLU233B, GLU233C, GLU256B, GLU256C, GLU264B, GLU264C, GLU38B, GLU38C, GLU67B, GLU67C, GLU95B, GLU95C, GLY202B, GLY202C, GLY64B, GLY64C, HIS102B, HIS102C, HIS17B, HIS17C, HIS230B, HIS230C, HIS231B, HIS231C, HIS263B, HIS263C, ILE205B, ILE205C, LEU203B, LEU203C, LEU73B, LEU73C, LEU77B, LEU77C, LYS107B, LYS107C, PHE232B, PHE232C, PHE62B, PHE62C, PRO255C, PRO58B, PRO58C, PRO66B, PRO66C, SER69B, SER69C, THR104B, THR104C, THR63B, THR63C, THR65B, THR65C, TRP59B, TRP59C, TYR253B, TYR253C, TYR70B, TYR70C, TYR76B, TYR76C, VAL100B, VAL100C, VAL227B, VAL227C, VAL259B, VAL259C, VAL373B, VAL373C, VAL61B, VAL61C
• B-E: ALA208B, ALA236E, ALA261E, ALA262E, ALA287E, ALA290E, ALA291E, ALA292E, ALA297E, ARG194E, ARG196E, ARG237B, ARG239E, ASP206B, ASP221E, ASP243E, ASP268E, CYS267E, GLN219E, GLU204B, GLU207B, GLU233B, GLU264E, GLU321E, GLY240B, GLY240E, GLY265E, GLY269E, GLY294E, HIS230B, HIS231B, HIS263E, HIS293E, ILE205B, ILE266E, ILE289E, ILE322E, LEU213B, LEU234B, LEU241B, LEU246E, LEU247E, LEU295E, LEU324E, MET235B, MET296E, PHE222E, PHE232B, PRO210B, PRO245E, THR242B, THR242E, THR323E, VAL209B, VAL227B, VAL244E
• B-G: ALA208G, ALA236B, ALA261B, ALA262B, ALA287B, ALA290B, ALA291B, ALA292B, ALA297B, ARG194B, ARG196B, ARG228G, ARG237G, ARG239B, ASP206G, ASP221B, ASP243B, ASP268B, CYS267B, GLN219B, GLU204G, GLU207G, GLU233G, GLU264B, GLU321B, GLY240B, GLY240G, GLY265B, GLY269B, GLY294B, GLY325B, HIS230G, HIS231G, HIS263B, HIS293B, ILE205G, ILE266B, ILE322B, LEU213G, LEU234G, LEU241G, LEU246B, LEU295B, LEU324B, MET235G, MET296B, PHE222B, PHE232G, PRO210G, PRO245B, THR242B, THR242G, THR323B, VAL209G, VAL227G, VAL244B
• C-E: ALA118C, ALA118E, ALA128C, ALA128E, ALA262C, ALA262E, ALA290C, ALA290E, ALA291C, ALA291E, ALA292C, ALA292E, ALA317C, ALA317E, ALA318C, ALA318E, ALA91C, ALA91E, ARG135C, ARG135E, ARG260C, ARG260E, ARG282C, ARG282E, ARG288C, ARG288E, ARG84C, ARG84E, ARG85C, ARG85E, ARG89C, ARG89E, ARG98C, ARG98E, ASN123C, ASN123E, ASP111C, ASP111E, ASP136C, ASP136E, ASP257C, ASP257E, ASP355C, ASP355E, ASP88C, ASP88E, ASP94C, ASP94E, CYS134C, CYS134E, GLN284C, GLN284E, GLU256C, GLU256E, GLU321C, GLU321E, GLU7C, GLU7E, GLU95C, GLU95E, GLY119C, GLY119E, GLY131C, GLY131E, GLY132C, GLY132E, GLY254C, GLY294C, GLY294E, GLY87C, GLY87E, HIS263C, HIS263E, HIS293C, HIS293E, ILE121C, ILE121E, ILE289C, ILE289E, ILE316C, ILE316E, ILE92C, ILE92E, LEU114C, LEU114E, LEU115C, LEU115E, LEU124C, LEU124E, LEU129C, LEU129E, LEU130C, LEU130E, LEU280C, LEU6C, LEU6E, LYS133C, LYS133E, MET258C, MET258E, MET315C, MET315E, MET93C, MET93E, PRO125C, PRO125E, PRO255C, PRO255E, PRO320C, PRO320E, SER122C, SER122E, THR281C, THR281E, THR285C, THR285E, THR319C, THR319E, THR323E, TRP127C, TRP127E, VAL259C, VAL259E, VAL286C, VAL286E, VAL86C, VAL86E, VAL90C, VAL90E
• C-H: ALA208H, ALA236C, ALA261C, ALA262C, ALA287C, ALA290C, ALA291C, ALA292C, ALA297C, ARG194C, ARG196C, ARG228H, ARG237H, ARG239C, ASP206H, ASP221C, ASP243C, ASP268C, CYS267C, GLU204H, GLU207H, GLU233H, GLU264C, GLU321C, GLY240C, GLY240H, GLY265C, GLY269C, GLY294C, HIS230H, HIS231H, HIS263C, HIS293C, ILE205H, ILE266C, ILE322C, LEU213H, LEU234H, LEU241H, LEU246C, LEU295C, LEU324C, MET235H, MET296C, PHE222C, PHE232H, PRO210H, PRO245C, THR242C, THR242H, THR323C, VAL209H, VAL227H, VAL244C
• D-F: ALA101D, ALA101F, ALA19D, ALA19F, ALA229F, ALA261D, ALA261F, ALA60D, ALA60F, ALA68D, ALA68F, ALA71D, ALA71F, ALA72D, ALA72F, ALA96D, ALA96F, ALA97D, ALA97F, ALA99D, ALA99F, ARG228D, ARG228F, ARG260D, ARG260F, ARG282D, ARG282F, ARG374D, ARG374F, ARG75D, ARG75F, ARG98D, ARG98F, ASP257D, ASP257F, ASP74D, ASP74F, ASP94D, ASP94F, CYS103D, CYS103F, CYS37D, CYS37F, GLN201D, GLN201F, GLU105D, GLU105F, GLU204D, GLU204F, GLU233D, GLU233F, GLU256D, GLU256F, GLU264D, GLU264F, GLU38D, GLU38F, GLU67D, GLU67F, GLU95D, GLU95F, GLY202D, GLY202F, GLY64D, GLY64F, HIS102D, HIS102F, HIS17D, HIS17F, HIS230D, HIS230F, HIS231D, HIS231F, HIS263D, HIS263F, ILE205D, ILE205F, LEU203D, LEU203F, LEU73D, LEU73F, LEU80D, LYS107D, LYS107F, PHE232D, PHE232F, PHE62D, PHE62F, PRO255D, PRO58D, PRO58F, PRO66D, PRO66F, SER69D, SER69F, THR104D, THR104F, THR63D, THR63F, THR65D, THR65F, TRP59D, TRP59F, TYR253D, TYR253F, TYR70D, TYR70F, TYR76D, TYR76F, VAL100D, VAL100F, VAL227D, VAL227F, VAL259D, VAL259F, VAL373D, VAL373F, VAL61D, VAL61F
• D-G: ALA118D, ALA118G, ALA128D, ALA128G, ALA262D, ALA262G, ALA290D, ALA290G, ALA291D, ALA291G, ALA292D, ALA292G, ALA317D, ALA317G, ALA318D, ALA318G, ALA91D, ALA91G, ARG135D, ARG135G, ARG260D, ARG260G, ARG282D, ARG282G, ARG288D, ARG288G, ARG84D, ARG84G, ARG85D, ARG85G, ARG89D, ARG89G, ARG98D, ASN123D, ASN123G, ASP111D, ASP111G, ASP136D, ASP136G, ASP257D, ASP257G, ASP355D, ASP355G, ASP88D, ASP88G, ASP94D, ASP94G, CYS134D, CYS134G, GLN284D, GLN284G, GLU256D, GLU256G, GLU321D, GLU321G, GLU7D, GLU7G, GLU95D, GLU95G, GLY119D, GLY119G, GLY131D, GLY131G, GLY132D, GLY132G, GLY254D, GLY294D, GLY294G, GLY87D, GLY87G, HIS263D, HIS263G, HIS293D, HIS293G, ILE121D, ILE121G, ILE289D, ILE289G, ILE316D, ILE316G, ILE92D, ILE92G, LEU114D, LEU114G, LEU115D, LEU115G, LEU124D, LEU124G, LEU129D, LEU129G, LEU130D, LEU130G, LEU280D, LEU280G, LEU6D, LEU6G, LYS133D, LYS133G, MET258D, MET258G, MET315D, MET315G, MET93D, MET93G, PRO125D, PRO125G, PRO255D, PRO255G, PRO320D, PRO320G, SER122D, SER122G, THR281D, THR281G, THR285D, THR285G, THR319D, THR319G, THR323G, TRP127D, TRP127G, VAL259D, VAL259G, VAL286D, VAL286G, VAL86D, VAL86G, VAL90D, VAL90G
• D-H: ALA208D, ALA236H, ALA261H, ALA262H, ALA287H, ALA290H, ALA291H, ALA292H, ALA297H, ARG194H, ARG196H, ARG228D, ARG237D, ARG239H, ASP206D, ASP221H, ASP243H, ASP268H, CYS267H, GLN219H, GLU204D, GLU207D, GLU233D, GLU264H, GLU321H, GLY240D, GLY240H, GLY265H, GLY269H, GLY294H, GLY325H, HIS230D, HIS231D, HIS263H, HIS293H, ILE205D, ILE266H, ILE322H, LEU213D, LEU234D, LEU241D, LEU246H, LEU247H, LEU295H, LEU324H, MET235D, MET296H, PHE222H, PHE232D, PRO210D, PRO245H, THR242D, THR242H, THR323H, VAL209D, VAL227D, VAL244H
• E-F: ALA208E, ALA236F, ALA261F, ALA262F, ALA287F, ALA290F, ALA291F, ALA292F, ALA297F, ARG194F, ARG196F, ARG237E, ARG239F, ASP206E, ASP221F, ASP243F, ASP268F, CYS267F, GLN219F, GLU204E, GLU207E, GLU233E, GLU264F, GLU321F, GLY240E, GLY240F, GLY265F, GLY269F, GLY294F, GLY325F, HIS230E, HIS231E, HIS263F, HIS293F, ILE205E, ILE266F, ILE322F, LEU213E, LEU234E, LEU241E, LEU246F, LEU247F, LEU295F, LEU324F, MET235E, MET296F, PHE222F, PHE232E, PRO210E, PRO245F, THR242E, THR242F, THR323F, VAL209E, VAL227E, VAL244F
• E-H: ALA101E, ALA101H, ALA19E, ALA19H, ALA229E, ALA229H, ALA261E, ALA261H, ALA60E, ALA60H, ALA68E, ALA68H, ALA71E, ALA71H, ALA72E, ALA72H, ALA96E, ALA96H, ALA97E, ALA97H, ALA99E, ALA99H, ARG228E, ARG228H, ARG260E, ARG260H, ARG282E, ARG282H, ARG374E, ARG374H, ARG75E, ARG75H, ARG98E, ARG98H, ASP257E, ASP257H, ASP74E, ASP74H, ASP94E, ASP94H, CYS103E, CYS103H, CYS37E, GLN201E, GLN201H, GLU105E, GLU105H, GLU204E, GLU204H, GLU233E, GLU233H, GLU256E, GLU256H, GLU264E, GLU264H, GLU38E, GLU38H, GLU67E, GLU67H, GLU95E, GLU95H, GLY202E, GLY202H, GLY64E, GLY64H, HIS102E, HIS102H, HIS17E, HIS17H, HIS230E, HIS230H, HIS231E, HIS231H, HIS263E, HIS263H, ILE205E, ILE205H, LEU203E, LEU203H, LEU73E, LEU73H, LEU77E, LEU77H, LYS107E, LYS107H, PHE232E, PHE232H, PHE62E, PHE62H, PRO255H, PRO58E, PRO58H, PRO66E, PRO66H, SER69E, SER69H, THR104E, THR104H, THR63E, THR63H, THR65E, THR65H, TRP59E, TRP59H, TYR253E, TYR253H, TYR70E, TYR70H, TYR76E, TYR76H, VAL100E, VAL100H, VAL227E, VAL227H, VAL259E, VAL259H, VAL373E, VAL373H, VAL61E, VAL61H
• F-G: ALA208F, ALA236G, ALA261G, ALA262G, ALA287G, ALA290G, ALA291G, ALA292G, ALA297G, ARG194G, ARG196G, ARG228F, ARG237F, ARG239G, ASP206F, ASP221G, ASP243G, ASP268G, CYS267G, GLN219G, GLU204F, GLU207F, GLU233F, GLU264G, GLU321G, GLY240F, GLY240G, GLY265G, GLY269G, GLY294G, GLY325G, HIS230F, HIS231F, HIS263G, HIS293G, ILE205F, ILE266G, ILE289G, ILE322G, LEU213F, LEU234F, LEU241F, LEU246G, LEU295G, LEU324G, MET235F, MET296G, PHE222G, PHE232F, PRO210F, PRO245G, THR242F, THR242G, THR323G, VAL209F, VAL227F, VAL244G
• F-H: ALA118F, ALA118H, ALA128F, ALA128H, ALA262F, ALA262H, ALA290F, ALA290H, ALA291F, ALA291H, ALA292F, ALA292H, ALA317F, ALA317H, ALA318F, ALA318H, ALA91F, ALA91H, ARG135F, ARG135H, ARG260F, ARG260H, ARG282F, ARG282H, ARG288F, ARG288H, ARG84F, ARG84H, ARG85F, ARG85H, ARG89F, ARG89H, ARG98F, ARG98H, ASN123F, ASN123H, ASP111F, ASP111H, ASP136F, ASP136H, ASP257F, ASP257H, ASP355F, ASP355H, ASP88F, ASP88H, ASP94F, ASP94H, CYS134F, CYS134H, GLN284F, GLN284H, GLU256F, GLU256H, GLU321F, GLU321H, GLU7F, GLU7H, GLU95F, GLU95H, GLY119F, GLY119H, GLY131F, GLY131H, GLY132F, GLY132H, GLY254F, GLY294F, GLY294H, GLY87F, GLY87H, HIS263F, HIS263H, HIS293F, HIS293H, ILE121F, ILE121H, ILE289F, ILE289H, ILE316F, ILE316H, ILE92F, ILE92H, LEU114F, LEU114H, LEU115F, LEU115H, LEU124F, LEU124H, LEU129F, LEU129H, LEU130F, LEU130H, LEU280H, LEU6F, LEU6H, LYS133F, LYS133H, MET258F, MET258H, MET315F, MET315H, MET93F, MET93H, PRO125F, PRO125H, PRO255F, PRO255H, PRO320F, PRO320H, SER122F, SER122H, THR281F, THR281H, THR285F, THR285H, THR319F, THR319H, THR323H, TRP127F, TRP127H, VAL259F, VAL259H, VAL286F, VAL286H, VAL86F, VAL86H, VAL90F, VAL90H