2JLA

crystal structure of e.coli mend, 2-succinyl-5-enolpyruvyl- 6-hydroxy-3-cyclohexadiene-1-carboxylate synthase - semet protein

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 144
  • Norm. En. per Res.: -5.1926
• 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	-120.8274	4.4739	-828.005	-944.3585	320	31	24	33530	8	66	63
A-C	0.0	-27.0891	-78.2494	-105.3385	55	6	0	3947	1	18	16
A-D	-127.3088	-123.2504	-462.366	-712.9252	145	22	1	17330	12	100	120
B-C	-146.6299	-136.035	-465.065	-747.7299	144	37	1	17386	12	102	123
B-D	0.0	-27.6966	-74.5184	-102.215	56	5	0	3863	1	19	16
C-D	-109.0389	-1.3785	-804.38	-914.7973	320	44	21	32783	7	65	66

Interface residues

• A-B: ALA116A, ALA116B, ALA119A, ALA119B, ALA127A, ALA127B, ALA299A, ALA299B, ALA29A, ALA29B, ALA319A, ALA319B, ALA40A, ALA40B, ALA415A, ALA415B, ALA41A, ALA41B, ALA42A, ALA42B, ALA445A, ALA445B, ALA451A, ALA451B, ALA453A, ALA453B, ALA500A, ALA500B, ALA501A, ALA501B, ALA502A, ALA502B, ALA82A, ALA82B, ALA84A, ALA84B, ALA89A, ALA89B, ALA93A, ALA93B, ARG107A, ARG107B, ARG121A, ARG121B, ARG228A, ARG228B, ARG315A, ARG315B, ARG325A, ARG325B, ARG33A, ARG33B, ARG395A, ARG395B, ARG413A, ARG413B, ARG430A, ARG430B, ARG456A, ARG456B, ARG485A, ARG485B, ARG487A, ARG487B, ARG56A, ARG56B, ARG8A, ARG8B, ASN117A, ASN117B, ASN390A, ASN412A, ASN412B, ASN450A, ASN450B, ASN470A, ASN470B, ASN494A, ASN494B, ASN85A, ASN85B, ASP113A, ASP113B, ASP317A, ASP317B, ASP419A, ASP419B, ASP442A, ASP442B, ASP448A, ASP448B, ASP54A, ASP54B, CYS114A, CYS114B, CYS27A, CYS27B, GLN118A, GLN118B, GLN122A, GLN122B, GLN284A, GLN284B, GLN298A, GLN457A, GLN457B, GLN482A, GLN493A, GLN493B, GLU110A, GLU110B, GLU172A, GLU172B, GLU313A, GLU313B, GLU43A, GLU43B, GLU484A, GLU484B, GLU486A, GLU486B, GLU498A, GLU498B, GLU505A, GLU505B, GLU55A, GLU55B, GLU92A, GLU92B, GLY115A, GLY115B, GLY124A, GLY124B, GLY176A, GLY176B, GLY314A, GLY314B, GLY31A, GLY31B, GLY414A, GLY414B, GLY417A, GLY417B, GLY420A, GLY420B, GLY471A, GLY471B, GLY472A, GLY472B, GLY57A, GLY57B, GLY80A, GLY80B, GLY94A, GLY94B, HIS129A, HIS129B, HIS320A, HIS320B, HIS496A, HIS496B, HIS499A, HIS499B, HIS49A, HIS49B, HIS50A, HIS50B, HIS52A, HIS52B, HIS60A, HIS60B, ILE112A, ILE112B, ILE120A, ILE120B, ILE26A, ILE26B, ILE28A, ILE28B, ILE308A, ILE308B, ILE312A, ILE312B, ILE418A, ILE418B, ILE474A, ILE474B, ILE48A, ILE48B, ILE76A, ILE76B, ILE91A, ILE91B, LEU111A, LEU111B, LEU174A, LEU174B, LEU253B, LEU289A, LEU289B, LEU295A, LEU295B, LEU316A, LEU316B, LEU37B, LEU39A, LEU39B, LEU443A, LEU443B, LEU446A, LEU446B, LEU449A, LEU449B, LEU452A, LEU452B, LEU454A, LEU454B, LEU478A, LEU478B, LEU490A, LEU490B, LEU58A, LEU58B, LEU63A, LEU63B, LEU86A, LEU86B, LEU90A, LEU90B, LEU95A, LEU95B, LYS292A, LYS292B, PHE126A, PHE126B, PHE475A, PHE475B, PHE47A, PHE47B, PHE488A, PHE488B, PHE497A, PHE497B, PHE504A, PHE504B, PHE53A, PHE53B, PRO108A, PRO108B, PRO109A, PRO109B, PRO123A, PRO123B, PRO130A, PRO130B, PRO30A, PRO30B, PRO318A, PRO318B, PRO36A, PRO36B, PRO479A, PRO479B, PRO481A, PRO481B, PRO492A, PRO492B, PRO88A, PRO88B, SER128A, SER128B, SER287A, SER287B, SER288A, SER288B, SER32A, SER32B, SER34A, SER34B, SER391A, SER416A, SER416B, SER444A, SER444B, SER483A, SER483B, SER79A, SER79B, THR131A, THR131B, THR290A, THR290B, THR35A, THR35B, THR38A, THR38B, THR480A, THR480B, THR51A, THR51B, THR78A, THR78B, THR81A, THR81B, THR96B, TYR175A, TYR175B, TYR447A, TYR447B, TYR489A, TYR489B, TYR87A, TYR87B, VAL394A, VAL394B, VAL495A, VAL495B, VAL77A, VAL83A, VAL83B
• A-C: ALA171A, ALA171C, ARG121A, ARG121C, ARG138A, ARG138C, ARG146A, ARG146C, ASP113A, ASP113C, ASP142A, ASP142C, CYS114A, CYS114C, GLN141A, GLN141C, GLU110A, GLU110C, HIS154A, HIS154C, ILE112A, ILE112C, ILE143A, ILE143C, LEU111A, LEU111C, LEU136A, LEU136C, LEU148A, LEU148C, PRO108A, PRO108C, PRO109A, PRO109C, PRO123C, PRO137A, PRO137C, PRO139A, PRO139C, PRO144A, PRO144C, SER135A, SER135C, SER150A, SER150C, THR140A, THR140C, THR151A, THR151C, TRP10A, TRP10C, TRP147A, TRP147C, VAL3A, VAL3C
• A-D: ALA145A, ALA145D, ALA155A, ALA155D, ALA203A, ALA203D, ALA299A, ALA299D, ALA319A, ALA319D, ALA328A, ALA328D, ARG146A, ARG146D, ARG188A, ARG188D, ARG201A, ARG201D, ARG205A, ARG205D, ARG20A, ARG20D, ARG315A, ARG315D, ARG322A, ARG322D, ARG324A, ARG324D, ARG325A, ARG325D, ASP153A, ASP153D, ASP191A, ASP191D, ASP195A, ASP195D, ASP196A, ASP196D, ASP213A, ASP213D, ASP317A, ASP317D, CYS301A, CYS301D, GLN194A, GLN194D, GLN211A, GLN211D, GLN298D, GLU202A, GLU202D, GLU207A, GLU207D, GLU209A, GLU209D, GLU302A, GLU302D, GLU304A, GLU304D, GLU305A, GLU305D, GLU313A, GLU313D, GLY157D, GLY190A, GLY190D, GLY314A, GLY314D, GLY323A, GLY323D, HIS132A, HIS132D, HIS154A, HIS154D, HIS160A, HIS160D, HIS320A, HIS320D, HIS321A, HIS321D, ILE134A, ILE134D, ILE143A, ILE143D, ILE152A, ILE152D, ILE281D, ILE308A, ILE308D, ILE312A, ILE312D, ILE327A, ILE327D, LEU148A, LEU148D, LEU189A, LEU189D, LEU200A, LEU200D, LEU206A, LEU206D, LEU316A, LEU316D, LEU326A, LEU326D, LYS197A, LYS197D, LYS210A, LYS210D, PRO144A, PRO144D, PRO198A, PRO198D, PRO204A, PRO204D, PRO303A, PRO303D, PRO318A, PRO318D, SER150A, SER150D, SER208A, SER208D, SER300A, SER300D, THR151A, THR151D, THR158A, THR158D, TRP147A, TRP147D, TRP192A, TRP192D, TRP193A, TRP193D, TRP199A, TRP199D, TRP217A, TRP217D, TRP307A, TRP307D, TYR306A, TYR306D, VAL149A, VAL149D
• B-C: ALA145B, ALA145C, ALA155B, ALA155C, ALA203B, ALA203C, ALA299B, ALA299C, ALA319B, ALA319C, ALA328B, ALA328C, ARG146B, ARG146C, ARG188B, ARG188C, ARG201B, ARG201C, ARG205B, ARG205C, ARG20B, ARG20C, ARG315B, ARG315C, ARG322B, ARG322C, ARG324B, ARG324C, ARG325B, ARG325C, ASP153B, ASP153C, ASP191B, ASP191C, ASP195B, ASP195C, ASP196B, ASP196C, ASP213B, ASP213C, ASP317B, ASP317C, CYS301B, CYS301C, GLN194B, GLN194C, GLN211B, GLN211C, GLU202B, GLU202C, GLU207B, GLU207C, GLU209B, GLU209C, GLU302B, GLU302C, GLU304B, GLU304C, GLU305B, GLU305C, GLU313B, GLU313C, GLY157B, GLY190B, GLY190C, GLY314B, GLY314C, GLY323B, GLY323C, HIS132B, HIS132C, HIS154B, HIS154C, HIS160B, HIS160C, HIS320B, HIS320C, HIS321B, HIS321C, ILE134B, ILE134C, ILE143B, ILE143C, ILE152B, ILE152C, ILE281C, ILE308B, ILE308C, ILE312B, ILE312C, ILE327B, ILE327C, LEU148B, LEU148C, LEU189B, LEU189C, LEU200B, LEU200C, LEU206B, LEU206C, LEU316B, LEU316C, LEU326B, LEU326C, LYS197B, LYS197C, LYS210B, LYS210C, PRO144B, PRO144C, PRO198B, PRO198C, PRO204B, PRO204C, PRO303B, PRO303C, PRO318B, PRO318C, SER150B, SER150C, SER208B, SER208C, SER300B, SER300C, THR151B, THR151C, THR158B, THR158C, TRP147B, TRP147C, TRP192B, TRP192C, TRP193B, TRP193C, TRP199B, TRP199C, TRP217B, TRP217C, TRP307B, TRP307C, TYR306B, TYR306C, VAL149B, VAL149C
• B-D: ALA171B, ALA171D, ARG121B, ARG121D, ARG138B, ARG138D, ARG146B, ARG146D, ASP113B, ASP113D, ASP142B, ASP142D, CYS114B, CYS114D, GLN141B, GLN141D, GLU110B, GLU110D, HIS154B, HIS154D, ILE112B, ILE112D, ILE143B, ILE143D, LEU111B, LEU111D, LEU136B, LEU136D, LEU148B, LEU148D, LEU200B, PRO108B, PRO108D, PRO109B, PRO109D, PRO123B, PRO137B, PRO137D, PRO139B, PRO139D, PRO144B, PRO144D, SER135B, SER135D, SER150B, SER150D, THR140B, THR140D, THR151B, THR151D, TRP10B, TRP10D, TRP147B, TRP147D, VAL3B, VAL3D
• C-D: ALA116C, ALA116D, ALA119C, ALA119D, ALA127C, ALA127D, ALA299C, ALA299D, ALA29C, ALA29D, ALA319C, ALA319D, ALA40C, ALA415C, ALA415D, ALA41C, ALA41D, ALA42C, ALA42D, ALA445C, ALA445D, ALA451C, ALA451D, ALA453C, ALA453D, ALA500C, ALA500D, ALA501C, ALA501D, ALA502C, ALA502D, ALA82C, ALA82D, ALA84C, ALA84D, ALA89C, ALA89D, ALA93C, ALA93D, ARG107C, ARG107D, ARG121C, ARG121D, ARG228C, ARG228D, ARG315C, ARG315D, ARG325C, ARG325D, ARG33C, ARG33D, ARG395C, ARG395D, ARG413C, ARG413D, ARG430C, ARG456C, ARG456D, ARG485C, ARG485D, ARG487C, ARG487D, ARG56C, ARG56D, ARG8C, ARG8D, ASN117C, ASN117D, ASN390C, ASN390D, ASN412C, ASN412D, ASN450C, ASN450D, ASN470C, ASN470D, ASN494C, ASN494D, ASN85C, ASN85D, ASP113C, ASP113D, ASP317C, ASP317D, ASP419C, ASP419D, ASP442C, ASP442D, ASP448C, ASP448D, ASP54C, ASP54D, CYS114C, CYS114D, CYS27C, CYS27D, GLN118C, GLN118D, GLN122C, GLN122D, GLN284C, GLN284D, GLN296D, GLN298C, GLN457C, GLN457D, GLN493C, GLN493D, GLU110C, GLU110D, GLU172C, GLU172D, GLU177C, GLU313C, GLU313D, GLU43C, GLU43D, GLU484C, GLU484D, GLU486C, GLU486D, GLU498C, GLU498D, GLU505C, GLU505D, GLU55C, GLU55D, GLU92C, GLU92D, GLY115C, GLY115D, GLY124C, GLY124D, GLY176C, GLY176D, GLY314C, GLY314D, GLY31C, GLY31D, GLY414C, GLY414D, GLY417C, GLY417D, GLY420C, GLY420D, GLY471C, GLY471D, GLY472C, GLY472D, GLY57C, GLY57D, GLY80C, GLY80D, GLY94C, GLY94D, HIS129C, HIS129D, HIS320C, HIS320D, HIS496C, HIS496D, HIS499C, HIS499D, HIS49C, HIS49D, HIS50C, HIS50D, HIS52C, HIS52D, HIS60C, HIS60D, ILE112C, ILE112D, ILE120C, ILE120D, ILE26C, ILE26D, ILE28C, ILE28D, ILE308C, ILE308D, ILE312C, ILE312D, ILE418C, ILE418D, ILE474C, ILE474D, ILE48C, ILE48D, ILE76C, ILE76D, ILE91C, ILE91D, LEU111C, LEU111D, LEU174C, LEU174D, LEU253D, LEU289C, LEU289D, LEU295C, LEU295D, LEU316C, LEU316D, LEU37C, LEU39C, LEU39D, LEU443C, LEU443D, LEU446C, LEU446D, LEU449C, LEU449D, LEU452C, LEU452D, LEU454C, LEU454D, LEU478C, LEU478D, LEU490C, LEU490D, LEU58C, LEU58D, LEU63C, LEU63D, LEU86C, LEU86D, LEU90C, LEU90D, LEU95C, LEU95D, LYS292C, LYS292D, PHE126C, PHE126D, PHE475C, PHE475D, PHE47C, PHE47D, PHE488C, PHE488D, PHE497C, PHE497D, PHE504C, PHE504D, PHE53C, PHE53D, PRO108C, PRO108D, PRO109C, PRO109D, PRO123C, PRO123D, PRO130C, PRO130D, PRO30C, PRO30D, PRO318C, PRO318D, PRO36C, PRO36D, PRO479C, PRO479D, PRO481C, PRO481D, PRO492C, PRO492D, PRO88C, PRO88D, SER128C, SER128D, SER287C, SER287D, SER288C, SER288D, SER32C, SER32D, SER34C, SER34D, SER391C, SER391D, SER416C, SER416D, SER444C, SER444D, SER483C, SER483D, SER79C, SER79D, THR131C, THR131D, THR290C, THR290D, THR35C, THR35D, THR38C, THR38D, THR480C, THR480D, THR51C, THR51D, THR78C, THR78D, THR81C, THR81D, TYR175C, TYR175D, TYR447C, TYR447D, TYR489C, TYR489D, TYR87C, TYR87D, VAL394D, VAL495C, VAL495D, VAL77C, VAL77D, VAL83C, VAL83D