3I4K

crystal structure of muconate lactonizing enzyme from corynebacterium glutamicum

• Total interactions analyzed: 28
• Total true interactions: 17
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 131
  • Norm. En. per Res.: -2.8457
• 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	-50.2683	-34.0679	-255.45	-339.7862	124	9	20	12112	4	38	37
A-C	-14.4517	-14.3639	-100.048	-128.8636	59	2	0	4481	10	29	30
A-D	-40.162	-30.1748	-280.618	-350.9549	133	9	1	10905	4	43	39
A-E	-18.5282	-16.2378	-99.3241	-134.0902	62	2	0	4515	11	29	30
B-D	-17.0292	-25.1692	-98.3941	-140.5924	58	3	0	4469	10	27	30
B-E	-39.7893	-28.2155	-294.675	-362.6798	139	13	1	11168	4	44	40
B-F	-18.3253	-17.5534	-101.432	-137.3107	60	3	0	4509	11	28	31
C-D	-51.9577	-34.6268	-251.396	-337.9805	124	10	20	12079	4	38	35
C-E	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	3
C-G	-14.5509	-26.0418	-100.079	-140.6716	62	2	0	4494	10	28	31
C-H	-47.9412	-30.9885	-277.952	-356.8817	134	11	1	10887	4	43	39
D-H	-17.5734	-13.8696	-104.162	-135.605	61	4	0	4655	11	28	31
E-F	-55.8777	-31.6632	-243.882	-331.4229	122	8	20	12029	3	38	33
E-G	-15.9839	-15.1125	-100.102	-131.1984	62	3	0	4479	11	29	29
F-G	-55.271	-34.6053	-282.904	-372.7803	131	12	1	10908	4	44	39
F-H	-15.8758	-14.4621	-97.0903	-127.4282	60	3	0	4492	10	29	30
G-H	-52.1133	-37.125	-245.291	-334.5293	123	10	20	12063	4	38	33

Interface residues

• A-B: ALA119A, ALA119B, ALA258A, ALA258B, ALA260A, ALA260B, ALA262A, ALA262B, ALA266A, ALA266B, ALA289A, ALA289B, ALA290A, ALA290B, ALA292A, ALA292B, ALA294A, ALA294B, ALA319A, ALA319B, ALA323A, ALA323B, ALA85A, ALA85B, ALA90A, ALA90B, ALA94A, ALA94B, ARG104A, ARG104B, ARG127A, ARG127B, ARG135A, ARG135B, ARG84A, ARG84B, ARG98A, ARG98B, ASN123A, ASN123B, ASP128A, ASP128B, ASP95A, ASP95B, GLN267A, GLN267B, GLU259A, GLU259B, GLU284A, GLU284B, GLU293A, GLU293B, GLU88A, GLU88B, GLU97A, GLU97B, GLY131A, GLY131B, GLY132A, GLY132B, GLY295A, GLY295B, GLY296A, GLY296B, GLY91A, GLY91B, HIS115A, HIS115B, ILE288A, ILE288B, ILE291A, ILE291B, ILE92A, ILE92B, LEU122A, LEU122B, LEU129A, LEU129B, LEU130A, LEU130B, LEU261A, LEU261B, LEU283A, LEU283B, LEU297A, LEU297B, LEU6A, LEU6B, LEU89A, LEU89B, LYS265A, LYS265B, LYS286A, LYS286B, LYS287A, LYS287B, LYS322A, LYS322B, PRO125A, PRO125B, PRO257A, PRO257B, SER285B, SER320A, SER320B, SER87A, SER87B, THR133A, THR133B, THR256A, THR256B, THR321A, THR321B, TRP118A, TRP118B, VAL124A, VAL124B, VAL126B, VAL134A, VAL134B, VAL264A, VAL264B, VAL86A, VAL86B
• A-C: ALA266C, ALA268C, ALA269C, ALA292C, ALA294C, ALA298C, ALA323C, ARG198C, ARG207A, ARG208A, ARG238A, ARG238C, ARG242A, ARG242C, ARG243A, ASN245A, ASN245C, ASP206A, ASP232A, ASP233A, ASP270C, CYS299C, GLN267C, GLU223C, GLU235A, GLU239A, GLU293C, GLY295C, GLY296C, GLY327C, HIS212A, HIS300C, ILE216A, ILE272C, LEU197C, LEU211A, LEU224C, LEU234A, LEU237C, LEU297C, LYS265C, LYS322C, PRO215A, PRO230A, SER196C, SER247C, SER325C, THR209A, THR229A, THR236A, THR241C, THR244A, THR244C, TYR213A, TYR326C, VAL246C, VAL248C, VAL264C, VAL271C
• A-D: ALA101A, ALA101D, ALA103A, ALA103D, ALA106A, ALA106D, ALA174A, ALA174D, ALA203A, ALA203D, ALA231A, ALA231D, ALA258A, ALA258D, ALA262A, ALA262D, ALA27A, ALA27D, ALA71A, ALA71D, ARG102A, ARG102D, ARG104A, ARG104D, ARG204A, ARG204D, ARG207A, ARG207D, ARG374A, ARG374D, ARG98A, ARG98D, ASN202A, ASP232A, ASP232D, ASP233A, ASP233D, ASP251A, ASP251D, ASP74A, ASP74D, ASP95A, ASP95D, GLN227A, GLN227D, GLU235A, GLU235D, GLU252A, GLU252D, GLU259A, GLU259D, GLU64A, GLU64D, GLU67A, GLU67D, GLU97A, GLU97D, GLY173A, GLY173D, GLY175A, GLY175D, GLY57A, GLY57D, GLY58A, GLY58D, GLY62A, GLY62D, GLY63A, GLY63D, GLY75A, GLY75D, HIS35A, HIS35D, LEU234A, LEU234D, LEU261A, LEU261D, LEU72A, LEU72D, LEU77A, LEU77D, LEU96A, LEU96D, LYS107A, LYS107D, LYS265A, LYS265D, LYS278A, LYS278D, LYS70A, LYS70D, PHE26A, PHE26D, PRO230A, PRO230D, PRO257A, PRO257D, PRO59A, PRO59D, SER253A, SER253D, SER65A, SER65D, THR236A, THR256A, THR256D, THR28A, THR28D, THR29A, THR29D, THR30A, THR68A, THR68D, TRP255A, TRP255D, TRP60A, TRP60D, TRP61A, TRP61D, TYR105A, TYR105D, TYR76A, TYR76D, VAL100A, VAL100D, VAL254A, VAL254D, VAL55A, VAL55D, VAL66A, VAL66D, VAL99A, VAL99D
• A-E: ALA266A, ALA266E, ALA268A, ALA269A, ALA292A, ALA294A, ALA298A, ALA323A, ARG166A, ARG182E, ARG198A, ARG207E, ARG208E, ARG238A, ARG238E, ARG242A, ARG242E, ARG243E, ASN245A, ASN245E, ASP206E, ASP232E, ASP233E, ASP270A, CYS299A, GLN267A, GLU223A, GLU235E, GLU239E, GLU293A, GLY295A, GLY296A, GLY327A, HIS212E, HIS300A, ILE216E, ILE272A, LEU197A, LEU211E, LEU224A, LEU234E, LEU237A, LEU297A, LYS265A, LYS322A, PRO215E, PRO230E, SER196A, SER247A, SER325A, THR209E, THR229E, THR236E, THR241A, THR244A, THR244E, TYR213E, TYR326A, VAL246A, VAL248A, VAL264A, VAL271A
• B-D: ALA266B, ALA266D, ALA268B, ALA269B, ALA292B, ALA294B, ALA298B, ARG198B, ARG207D, ARG208D, ARG238B, ARG238D, ARG242B, ARG242D, ARG243D, ASN245B, ASN245D, ASP206D, ASP232D, ASP233D, ASP270B, CYS299B, GLN267B, GLU223B, GLU235D, GLU239D, GLU293B, GLY295B, GLY296B, GLY327B, HIS212D, HIS300B, ILE216D, ILE272B, LEU197B, LEU211D, LEU224B, LEU234D, LEU237B, LEU297B, LYS265B, PRO215D, PRO230D, SER196B, SER247B, SER325B, THR209D, THR229D, THR236D, THR241B, THR244B, THR244D, TYR213D, TYR326B, VAL246B, VAL248B, VAL264B, VAL271B
• B-E: ALA101B, ALA101E, ALA103B, ALA103E, ALA106B, ALA106E, ALA174B, ALA174E, ALA203B, ALA203E, ALA231B, ALA231E, ALA258B, ALA258E, ALA262B, ALA262E, ALA27B, ALA27E, ALA71B, ALA71E, ALA94B, ARG102B, ARG102E, ARG104B, ARG104E, ARG204B, ARG204E, ARG207B, ARG207E, ARG374B, ARG374E, ARG98B, ARG98E, ASN202B, ASN202E, ASP232B, ASP232E, ASP233B, ASP233E, ASP251B, ASP251E, ASP74B, ASP74E, ASP95B, ASP95E, GLN227B, GLN227E, GLU235B, GLU235E, GLU252B, GLU252E, GLU259B, GLU259E, GLU64B, GLU64E, GLU67B, GLU67E, GLU97B, GLU97E, GLY173B, GLY173E, GLY175B, GLY175E, GLY57B, GLY57E, GLY58B, GLY58E, GLY62B, GLY62E, GLY63B, GLY63E, GLY75B, GLY75E, HIS35B, HIS35E, ILE15E, LEU234B, LEU234E, LEU261B, LEU261E, LEU72B, LEU72E, LEU77B, LEU77E, LEU96B, LEU96E, LYS107B, LYS107E, LYS265B, LYS265E, LYS278B, LYS278E, LYS70B, LYS70E, PHE26B, PHE26E, PRO230B, PRO230E, PRO257B, PRO257E, PRO59B, PRO59E, SER253B, SER253E, SER65B, SER65E, THR236B, THR236E, THR256B, THR256E, THR28B, THR28E, THR29B, THR29E, THR30E, THR68B, THR68E, TRP255B, TRP255E, TRP60B, TRP60E, TRP61B, TRP61E, TYR105B, TYR105E, TYR76B, TYR76E, VAL100B, VAL100E, VAL254B, VAL254E, VAL55B, VAL55E, VAL66B, VAL66E, VAL73B, VAL73E, VAL99B, VAL99E
• B-F: ALA266F, ALA268F, ALA269F, ALA292F, ALA294F, ALA298F, ARG166F, ARG182B, ARG198F, ARG207B, ARG208B, ARG238B, ARG238F, ARG242B, ARG242F, ARG243B, ASN245B, ASN245F, ASP206B, ASP232B, ASP233B, ASP270F, CYS299F, GLN267F, GLU223F, GLU235B, GLU239B, GLU293F, GLY295F, GLY296F, GLY327F, HIS212B, HIS300F, ILE216B, ILE272F, LEU197F, LEU211B, LEU224F, LEU234B, LEU237F, LEU297F, LYS265F, LYS322F, PRO215B, PRO230B, SER196F, SER247F, SER325F, THR209B, THR229B, THR236B, THR241F, THR244B, THR244F, TYR213B, TYR326F, VAL246F, VAL248F, VAL264F, VAL271F
• C-D: ALA119C, ALA119D, ALA258C, ALA258D, ALA260C, ALA260D, ALA262C, ALA262D, ALA266C, ALA266D, ALA289C, ALA289D, ALA290C, ALA290D, ALA292C, ALA292D, ALA294C, ALA294D, ALA319C, ALA319D, ALA323C, ALA323D, ALA85C, ALA85D, ALA90C, ALA90D, ALA94C, ALA94D, ARG104C, ARG104D, ARG127C, ARG127D, ARG135C, ARG135D, ARG84C, ARG84D, ARG98C, ARG98D, ASN123C, ASN123D, ASP128C, ASP128D, ASP95C, ASP95D, GLN267C, GLN267D, GLU259C, GLU259D, GLU284C, GLU284D, GLU293C, GLU293D, GLU88C, GLU88D, GLU97C, GLU97D, GLY131C, GLY131D, GLY132C, GLY132D, GLY295C, GLY295D, GLY296C, GLY296D, GLY91C, GLY91D, HIS115C, HIS115D, ILE288C, ILE288D, ILE291C, ILE291D, ILE92C, ILE92D, LEU122C, LEU122D, LEU129C, LEU129D, LEU130C, LEU130D, LEU261C, LEU261D, LEU283C, LEU283D, LEU297C, LEU297D, LEU6C, LEU6D, LEU89C, LEU89D, LYS265C, LYS265D, LYS286C, LYS286D, LYS287C, LYS287D, LYS322C, LYS322D, PRO125C, PRO125D, PRO257C, PRO257D, SER320C, SER320D, SER87C, SER87D, THR133C, THR133D, THR256C, THR256D, THR321C, THR321D, TRP118C, TRP118D, VAL124C, VAL124D, VAL126C, VAL126D, VAL134C, VAL134D, VAL264C, VAL264D, VAL86C, VAL86D
• C-E: ARG242C, ARG242E
• C-G: ALA266C, ALA266G, ALA268G, ALA269G, ALA292G, ALA294G, ALA298G, ALA323G, ARG166G, ARG182C, ARG198G, ARG207C, ARG208C, ARG238C, ARG238G, ARG242C, ARG242G, ARG243C, ASN245C, ASN245G, ASP206C, ASP232C, ASP233C, ASP270G, CYS299G, GLN267G, GLU179C, GLU223G, GLU235C, GLU239C, GLU293G, GLY295G, GLY296G, GLY327G, HIS212C, HIS300G, ILE216C, ILE272G, LEU197G, LEU211C, LEU224G, LEU234C, LEU237G, LEU297G, LYS265G, PRO215C, PRO230C, SER196G, SER247G, SER325G, THR209C, THR229C, THR236C, THR241G, THR244C, THR244G, TYR213C, TYR326G, VAL246G, VAL248G, VAL264G, VAL271G
• C-H: ALA101C, ALA101H, ALA103C, ALA103H, ALA174C, ALA174H, ALA203C, ALA231C, ALA231H, ALA258C, ALA258H, ALA262C, ALA262H, ALA27C, ALA27H, ALA71C, ALA71H, ALA94H, ARG102C, ARG102H, ARG104C, ARG104H, ARG204C, ARG204H, ARG207C, ARG207H, ARG374C, ARG374H, ARG98C, ARG98H, ASP232C, ASP232H, ASP233C, ASP233H, ASP251C, ASP251H, ASP74C, ASP74H, ASP95C, ASP95H, GLN227C, GLN227H, GLU235C, GLU235H, GLU252C, GLU252H, GLU259C, GLU259H, GLU64C, GLU64H, GLU67C, GLU67H, GLU97C, GLU97H, GLY173C, GLY173H, GLY175C, GLY175H, GLY57C, GLY57H, GLY58C, GLY58H, GLY62C, GLY62H, GLY63C, GLY63H, GLY75C, GLY75H, HIS35C, HIS35H, ILE15C, ILE15H, LEU234C, LEU234H, LEU261C, LEU261H, LEU72C, LEU72H, LEU77C, LEU77H, LEU96C, LEU96H, LYS107C, LYS107H, LYS265C, LYS265H, LYS278C, LYS278H, LYS70C, LYS70H, PHE26C, PHE26H, PRO230C, PRO230H, PRO257C, PRO257H, PRO59C, PRO59H, SER253C, SER253H, SER65C, SER65H, THR236C, THR236H, THR256C, THR256H, THR28C, THR28H, THR29C, THR29H, THR30C, THR68C, THR68H, TRP255C, TRP255H, TRP60C, TRP60H, TRP61C, TRP61H, TYR105C, TYR105H, TYR76C, TYR76H, VAL100C, VAL100H, VAL254C, VAL254H, VAL55C, VAL55H, VAL66C, VAL66H, VAL73H, VAL99C, VAL99H
• D-H: ALA266D, ALA266H, ALA268D, ALA269D, ALA292D, ALA294D, ALA298D, ARG166D, ARG182H, ARG198D, ARG207H, ARG208H, ARG238D, ARG238H, ARG242D, ARG242H, ARG243H, ASN245D, ASN245H, ASP176H, ASP206H, ASP232H, ASP233H, ASP270D, CYS299D, GLN267D, GLU223D, GLU235H, GLU239H, GLU293D, GLY295D, GLY296D, GLY327D, HIS212H, HIS300D, ILE216H, ILE272D, LEU197D, LEU211H, LEU224D, LEU234H, LEU237D, LEU297D, LYS265D, PRO215H, PRO230H, SER196D, SER247D, SER325D, THR209H, THR229H, THR236H, THR241D, THR244D, THR244H, TYR213H, TYR326D, VAL246D, VAL248D, VAL264D, VAL271D
• E-F: ALA119E, ALA119F, ALA258E, ALA258F, ALA260E, ALA260F, ALA262E, ALA262F, ALA266E, ALA266F, ALA289E, ALA289F, ALA290E, ALA290F, ALA292E, ALA292F, ALA294E, ALA294F, ALA319E, ALA319F, ALA323E, ALA323F, ALA85E, ALA85F, ALA90E, ALA90F, ALA94E, ALA94F, ARG127E, ARG127F, ARG135E, ARG135F, ARG84E, ARG84F, ARG98E, ARG98F, ASN123E, ASN123F, ASP128E, ASP128F, ASP95E, ASP95F, GLN267E, GLN267F, GLU259E, GLU259F, GLU284E, GLU284F, GLU293E, GLU293F, GLU88E, GLU88F, GLU97E, GLU97F, GLY131E, GLY131F, GLY132E, GLY132F, GLY295E, GLY295F, GLY296E, GLY296F, GLY91E, GLY91F, HIS115E, HIS115F, ILE288E, ILE288F, ILE291E, ILE291F, ILE92E, ILE92F, LEU122E, LEU122F, LEU129E, LEU129F, LEU130E, LEU130F, LEU261E, LEU261F, LEU283E, LEU283F, LEU297E, LEU297F, LEU6E, LEU6F, LEU89E, LEU89F, LYS265E, LYS265F, LYS286E, LYS286F, LYS287E, LYS287F, LYS322E, LYS322F, PRO125E, PRO125F, PRO257E, PRO257F, SER320E, SER320F, SER87E, SER87F, THR133E, THR133F, THR256E, THR256F, THR321E, THR321F, TRP118E, TRP118F, VAL124E, VAL124F, VAL126E, VAL126F, VAL134E, VAL134F, VAL264E, VAL264F, VAL86E, VAL86F
• E-G: ALA266E, ALA266G, ALA268E, ALA269E, ALA292E, ALA294E, ALA298E, ARG166E, ARG182G, ARG198E, ARG207G, ARG208G, ARG238E, ARG238G, ARG242E, ARG242G, ARG243G, ASN245E, ASN245G, ASP206G, ASP232G, ASP233G, ASP270E, CYS299E, GLN267E, GLU223E, GLU235G, GLU239G, GLU293E, GLY295E, GLY296E, GLY327E, HIS212G, HIS300E, ILE216G, ILE240G, ILE272E, LEU197E, LEU211G, LEU224E, LEU234G, LEU237E, LEU297E, LYS265E, LYS322E, PRO215G, PRO230G, SER196E, SER247E, SER325E, THR209G, THR229G, THR236G, THR241E, THR244E, THR244G, TYR213G, TYR326E, VAL246E, VAL248E, VAL264E, VAL271E
• F-G: ALA101F, ALA101G, ALA103F, ALA103G, ALA106G, ALA174F, ALA174G, ALA203F, ALA203G, ALA231F, ALA231G, ALA258F, ALA258G, ALA262F, ALA262G, ALA27F, ALA27G, ALA71F, ALA71G, ARG102F, ARG102G, ARG104F, ARG104G, ARG204F, ARG204G, ARG207F, ARG207G, ARG374F, ARG374G, ARG98F, ARG98G, ASN202G, ASP232F, ASP232G, ASP233F, ASP233G, ASP251F, ASP251G, ASP74F, ASP95F, ASP95G, GLN227F, GLN227G, GLU235F, GLU235G, GLU252F, GLU252G, GLU259F, GLU259G, GLU64F, GLU64G, GLU67F, GLU67G, GLU97F, GLU97G, GLY173F, GLY173G, GLY175F, GLY175G, GLY57F, GLY57G, GLY58F, GLY58G, GLY62F, GLY62G, GLY63F, GLY63G, GLY75F, GLY75G, HIS35F, HIS35G, ILE15F, LEU234F, LEU234G, LEU261F, LEU261G, LEU72F, LEU72G, LEU77F, LEU77G, LEU96F, LEU96G, LYS107F, LYS107G, LYS265F, LYS265G, LYS278F, LYS278G, LYS70F, LYS70G, PHE26G, PRO230F, PRO230G, PRO257F, PRO257G, PRO59F, PRO59G, SER253F, SER253G, SER65F, SER65G, THR236G, THR256F, THR256G, THR28F, THR28G, THR29F, THR29G, THR30G, THR68F, THR68G, TRP255F, TRP255G, TRP60F, TRP60G, TRP61F, TRP61G, TYR105F, TYR105G, TYR76F, TYR76G, VAL100F, VAL100G, VAL254F, VAL254G, VAL55F, VAL55G, VAL66F, VAL66G, VAL99F, VAL99G
• F-H: ALA266F, ALA266H, ALA268H, ALA269H, ALA292H, ALA294H, ALA298H, ARG166H, ARG182F, ARG198H, ARG207F, ARG208F, ARG238F, ARG238H, ARG242F, ARG242H, ARG243F, ASN245F, ASN245H, ASP206F, ASP232F, ASP233F, ASP270H, CYS299H, GLN267H, GLU223H, GLU235F, GLU239F, GLU293H, GLY295H, GLY296H, GLY327H, HIS212F, HIS300H, ILE216F, ILE272H, LEU197H, LEU211F, LEU224H, LEU234F, LEU237H, LEU297H, LYS265H, PRO215F, PRO230F, SER196H, SER247H, SER325H, THR209F, THR229F, THR236F, THR241H, THR244F, THR244H, TYR213F, TYR326H, VAL246H, VAL248H, VAL264H, VAL271H
• G-H: ALA119G, ALA258G, ALA258H, ALA260G, ALA260H, ALA262G, ALA262H, ALA266G, ALA266H, ALA289G, ALA289H, ALA290G, ALA290H, ALA292G, ALA292H, ALA294G, ALA294H, ALA319G, ALA319H, ALA323G, ALA323H, ALA85G, ALA85H, ALA90G, ALA90H, ALA94G, ALA94H, ARG104G, ARG104H, ARG127G, ARG127H, ARG135G, ARG135H, ARG84G, ARG84H, ARG98G, ARG98H, ASN123G, ASN123H, ASP128G, ASP128H, ASP95G, ASP95H, GLN267G, GLN267H, GLU259G, GLU259H, GLU284G, GLU284H, GLU293G, GLU293H, GLU88G, GLU88H, GLU97G, GLU97H, GLY131G, GLY131H, GLY132G, GLY132H, GLY295G, GLY295H, GLY296G, GLY296H, GLY91G, GLY91H, HIS115G, HIS115H, ILE288G, ILE288H, ILE291G, ILE291H, ILE92G, ILE92H, LEU122G, LEU122H, LEU129G, LEU129H, LEU130G, LEU130H, LEU261G, LEU261H, LEU283G, LEU283H, LEU297G, LEU297H, LEU6G, LEU6H, LEU89G, LEU89H, LYS265G, LYS265H, LYS286G, LYS286H, LYS287G, LYS287H, LYS322G, LYS322H, PRO125G, PRO125H, PRO257G, PRO257H, SER320G, SER320H, SER87G, SER87H, THR133G, THR133H, THR256G, THR256H, THR321G, THR321H, TRP118G, TRP118H, VAL124G, VAL124H, VAL126G, VAL126H, VAL134G, VAL134H, VAL264G, VAL264H, VAL86G, VAL86H