3E5B

2.4 a crystal structure of isocitrate lyase from brucella melitensis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 301
  • Norm. En. per Res.: -4.6979
• 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	-52.2769	-2.929	-399.362	-454.5679	158	9	27	17998	4	45	34
A-C	-67.9218	-66.8536	-1279.28	-1414.0554	301	41	40	47332	8	82	52
A-D	-5.2107	-87.8561	-165.508	-258.5748	106	2	3	7464	4	14	21
B-C	-3.2041	-84.2314	-166.435	-253.8705	107	2	2	7189	4	14	20
B-D	-63.5015	-43.4639	-1255.59	-1362.5555	298	42	40	46635	6	79	52
C-D	-53.6782	-26.2901	-390.361	-470.3293	165	11	27	17920	4	47	34

Interface residues

• A-B: ALA124A, ALA124B, ALA130A, ALA130B, ALA158A, ALA158B, ALA164A, ALA164B, ALA168B, ALA205A, ALA205B, ALA206A, ALA206B, ALA209A, ALA209B, ALA22A, ALA22B, ALA400A, ALA400B, ALA404A, ALA404B, ALA42A, ALA42B, ARG119A, ARG119B, ARG123A, ARG123B, ARG201A, ARG201B, ARG207A, ARG207B, ARG21A, ARG21B, ARG30A, ARG30B, ARG32A, ARG32B, ASN108A, ASN118A, ASN118B, ASN202A, ASN202B, ASN204A, ASN204B, ASP125A, ASP125B, ASP138A, ASP157A, ASP157B, ASP27A, ASP27B, ASP399A, ASP399B, GLN122A, GLN122B, GLN126A, GLN126B, GLU112A, GLU112B, GLU128A, GLU128B, GLU131A, GLU131B, GLU160A, GLU160B, GLU167A, GLU167B, GLU26B, GLU36A, GLU36B, GLU43A, GLU43B, GLY132A, GLY132B, GLY134A, GLY134B, GLY154A, GLY154B, GLY33A, GLY33B, GLY394A, GLY396A, GLY396B, GLY407A, HIS23A, HIS23B, ILE127A, ILE127B, ILE200A, ILE200B, ILE37A, ILE37B, ILE405A, ILE405B, LEU135A, LEU135B, LEU156A, LEU156B, LEU203A, LEU203B, LEU208A, LEU208B, LEU31A, LEU31B, LEU403A, LEU403B, LEU41A, LEU41B, LYS115A, LYS115B, LYS163A, LYS163B, LYS29A, LYS29B, LYS38A, LYS38B, MET213A, MET213B, MET44A, MET44B, PHE141A, PHE141B, PHE159A, PHE159B, PHE398A, PHE398B, PRO155A, PRO155B, SER34A, SER34B, SER402A, SER402B, SER40A, SER40B, THR129A, THR129B, THR139A, THR139B, THR24A, THR24B, THR395A, THR395B, THR406A, THR406B, TRP140A, TRP140B, TYR397A, TYR397B, TYR39A, TYR39B, VAL212A, VAL212B, VAL28A, VAL28B, VAL35A, VAL35B, VAL401A, VAL401B
• A-C: ALA109A, ALA109C, ALA114A, ALA114C, ALA124A, ALA124C, ALA323A, ALA323C, ALA326A, ALA326C, ALA345A, ALA345C, ALA358A, ALA358C, ALA367A, ALA367C, ALA368A, ALA368C, ALA375A, ALA375C, ALA378A, ALA378C, ALA379A, ALA379C, ALA381A, ALA381C, ALA386A, ALA386C, ALA61A, ALA61C, ALA64A, ALA64C, ALA70A, ALA70C, ALA76A, ALA76C, ALA80A, ALA80C, ALA89A, ALA89C, ALA90A, ALA90C, ALA92A, ALA92C, ALA95A, ALA95C, ALA97A, ALA97C, ARG116A, ARG116C, ARG119A, ARG119C, ARG123A, ARG123C, ARG330A, ARG330C, ARG359A, ARG359C, ARG364A, ARG364C, ARG391A, ARG391C, ARG75A, ARG75C, ASN118A, ASN118C, ASN309A, ASN315A, ASN315C, ASN319A, ASN319C, ASN351A, ASN351C, ASN60A, ASN60C, ASN68A, ASN68C, ASN93A, ASN93C, ASP101A, ASP101C, ASP125A, ASP125C, ASP321A, ASP322A, ASP322C, ASP363A, ASP363C, ASP382A, ASP382C, ASP399A, ASP399C, ASP91A, ASP91C, CYS310A, CYS310C, GLN102A, GLN102C, GLN122A, GLN122C, GLN126A, GLN126C, GLN329A, GLN329C, GLN340A, GLN340C, GLN349A, GLN349C, GLN365A, GLN365C, GLN373A, GLN373C, GLN374A, GLN374C, GLN390A, GLN390C, GLN69A, GLN69C, GLN72A, GLN72C, GLN87A, GLN87C, GLU112A, GLU112C, GLU252A, GLU252C, GLU331A, GLU356A, GLU356C, GLU371A, GLU371C, GLU376A, GLU376C, GLU380A, GLU380C, GLU392A, GLU392C, GLU56A, GLY346A, GLY346C, GLY353A, GLY353C, GLY360A, GLY360C, GLY383A, GLY383C, GLY394A, GLY394C, GLY396A, GLY396C, GLY63A, GLY63C, GLY67A, GLY67C, GLY77A, GLY77C, HIS348A, HIS348C, HIS389A, HIS389C, ILE117A, ILE117C, ILE127A, ILE127C, ILE325A, ILE325C, ILE342A, ILE342C, LEU104A, LEU104C, LEU113A, LEU113C, LEU121A, LEU121C, LEU287C, LEU320A, LEU320C, LEU332A, LEU332C, LEU344A, LEU344C, LEU350A, LEU350C, LEU357A, LEU357C, LEU372A, LEU372C, LEU62A, LEU62C, LEU65A, LEU65C, LEU78A, LEU78C, LYS115A, LYS115C, LYS317A, LYS317C, LYS318A, LYS318C, LYS327A, LYS327C, LYS362A, LYS362C, LYS388A, LYS388C, LYS79A, LYS79C, MET354A, MET354C, MET366A, MET366C, MET71A, MET71C, MET73A, MET73C, MET98A, MET98C, PHE314A, PHE314C, PHE328A, PHE328C, PHE341A, PHE341C, PHE347A, PHE347C, PHE355A, PHE355C, PHE377A, PHE377C, PHE398A, PHE398C, PHE58A, PHE58C, PRO100A, PRO100C, PRO285A, PRO285C, PRO312A, PRO312C, SER136A, SER311A, SER311C, SER313A, SER313C, SER370A, SER370C, SER402A, SER402C, SER66A, SER66C, SER96A, SER96C, THR120A, THR120C, THR324A, THR324C, THR343A, THR343C, THR385A, THR385C, THR387A, THR387C, THR395A, THR395C, THR406A, THR406C, THR94A, THR94C, TRP140A, TRP140C, TRP316A, TRP316C, TRP86A, TRP86C, TYR308A, TYR308C, TYR352A, TYR352C, TYR361A, TYR361C, TYR369A, TYR369C, TYR384A, TYR384C, TYR397A, TYR397C, TYR82A, TYR99A, TYR99C, VAL137A, VAL137C, VAL393A, VAL393C, VAL401A, VAL401C, VAL59A, VAL59C, VAL74A, VAL74C, VAL88A, VAL88C
• A-D: ALA107A, ALA107D, ALA109A, ALA109D, ALA158A, ALA158D, ALA164A, ALA164D, ALA180A, ALA180D, ALA197A, ALA197D, ALA198A, ALA198D, ALA251A, ALA251D, ALA95A, ALA95D, ALA97A, ALA97D, ARG201A, ARG201D, ARG249A, ARG249D, ASN108A, ASN108D, ASN93A, ASN93D, ASP157A, ASP157D, ASP234A, ASP234D, ASP236A, ASP236D, GLN102A, GLN102D, GLN240A, GLN240D, GLU112A, GLU112D, GLU160A, GLU160D, GLU167A, GLU167D, GLU252A, GLU252D, GLY151A, GLY153A, GLY153D, GLY154A, GLY154D, GLY248A, GLY253A, GLY253D, ILE161A, ILE161D, ILE235A, ILE235D, LEU104A, LEU104D, LEU156A, LEU156D, LEU179A, LEU179D, LYS163A, LYS163D, MET98A, MET98D, PHE152A, PHE152D, PHE159A, PHE159D, PHE254A, PHE254D, PRO100A, PRO100D, PRO106A, PRO106D, PRO111A, PRO111D, PRO155A, PRO155D, PRO195A, PRO195D, SER103A, SER103D, SER181A, SER181D, SER233A, SER233D, SER96A, SER96D, THR232A, THR232D, THR250A, THR250D, THR94A, THR94D, TYR105A, TYR105D, TYR245A, TYR245D, TYR255A, TYR255D, TYR99A, TYR99D
• B-C: ALA107B, ALA107C, ALA109B, ALA109C, ALA158B, ALA158C, ALA164B, ALA164C, ALA180B, ALA180C, ALA197B, ALA197C, ALA198B, ALA198C, ALA251B, ALA251C, ALA95B, ALA95C, ALA97B, ALA97C, ARG201B, ARG201C, ARG249B, ARG249C, ASN108B, ASN108C, ASN93B, ASN93C, ASP157B, ASP157C, ASP234B, ASP234C, ASP236B, ASP236C, GLN102B, GLN102C, GLN240B, GLN240C, GLU112B, GLU112C, GLU160B, GLU160C, GLU167B, GLU167C, GLU252B, GLU252C, GLY151C, GLY153B, GLY153C, GLY154B, GLY154C, GLY248C, GLY253B, GLY253C, ILE161B, ILE161C, ILE194C, ILE235B, ILE235C, LEU104B, LEU104C, LEU156B, LEU156C, LEU179B, LEU179C, LYS163B, LYS163C, MET98B, MET98C, PHE152B, PHE152C, PHE159B, PHE159C, PHE254B, PHE254C, PRO100B, PRO100C, PRO106B, PRO106C, PRO111B, PRO111C, PRO155B, PRO155C, PRO195B, PRO195C, SER103B, SER103C, SER181B, SER181C, SER233B, SER233C, SER96B, SER96C, THR232B, THR232C, THR250B, THR250C, THR94B, THR94C, TYR105B, TYR105C, TYR245B, TYR245C, TYR255B, TYR255C, TYR99B, TYR99C
• B-D: ALA109B, ALA109D, ALA114B, ALA114D, ALA124B, ALA124D, ALA251D, ALA323D, ALA326B, ALA326D, ALA345B, ALA345D, ALA358B, ALA358D, ALA367B, ALA367D, ALA368B, ALA368D, ALA375B, ALA375D, ALA378B, ALA378D, ALA379B, ALA379D, ALA381B, ALA381D, ALA386B, ALA386D, ALA61B, ALA61D, ALA64B, ALA64D, ALA70B, ALA70D, ALA76B, ALA76D, ALA80B, ALA80D, ALA89B, ALA89D, ALA90B, ALA90D, ALA92B, ALA92D, ALA95B, ALA95D, ALA97B, ALA97D, ARG116B, ARG116D, ARG119B, ARG119D, ARG123B, ARG123D, ARG330B, ARG330D, ARG359B, ARG359D, ARG364B, ARG364D, ARG391B, ARG391D, ARG75B, ARG75D, ASN118B, ASN118D, ASN309B, ASN309D, ASN315B, ASN315D, ASN319B, ASN319D, ASN351B, ASN351D, ASN60B, ASN60D, ASN68B, ASN68D, ASN93B, ASN93D, ASP101B, ASP101D, ASP125B, ASP125D, ASP322B, ASP322D, ASP363B, ASP363D, ASP382B, ASP382D, ASP399B, ASP399D, ASP91B, ASP91D, CYS310B, CYS310D, GLN102B, GLN102D, GLN122B, GLN122D, GLN126B, GLN126D, GLN329B, GLN329D, GLN340B, GLN340D, GLN349B, GLN349D, GLN365B, GLN365D, GLN373B, GLN373D, GLN374B, GLN374D, GLN390B, GLN390D, GLN69B, GLN69D, GLN72B, GLN72D, GLN87B, GLN87D, GLU112B, GLU112D, GLU252B, GLU252D, GLU331B, GLU356B, GLU356D, GLU371B, GLU371D, GLU376B, GLU376D, GLU380B, GLU380D, GLU392B, GLU392D, GLY346B, GLY346D, GLY353B, GLY353D, GLY360B, GLY360D, GLY383B, GLY383D, GLY394B, GLY394D, GLY396B, GLY396D, GLY63B, GLY63D, GLY67B, GLY67D, GLY77B, GLY77D, HIS348B, HIS348D, HIS389B, HIS389D, ILE117B, ILE117D, ILE127B, ILE127D, ILE325B, ILE325D, ILE342B, ILE342D, LEU104B, LEU104D, LEU113B, LEU113D, LEU121B, LEU121D, LEU320B, LEU320D, LEU332B, LEU332D, LEU344B, LEU344D, LEU350B, LEU350D, LEU357B, LEU357D, LEU372B, LEU372D, LEU62B, LEU62D, LEU65B, LEU65D, LEU78B, LEU78D, LYS115B, LYS115D, LYS317B, LYS317D, LYS318B, LYS318D, LYS327B, LYS327D, LYS362B, LYS362D, LYS388B, LYS388D, LYS79B, LYS79D, MET354B, MET354D, MET366B, MET366D, MET71B, MET71D, MET73B, MET73D, MET98B, MET98D, PHE314B, PHE314D, PHE328B, PHE328D, PHE339B, PHE341B, PHE341D, PHE347B, PHE347D, PHE355B, PHE355D, PHE377B, PHE377D, PHE398B, PHE398D, PHE58B, PHE58D, PRO100B, PRO100D, PRO285B, PRO285D, PRO312B, PRO312D, SER136D, SER283B, SER311B, SER311D, SER313B, SER313D, SER370B, SER370D, SER402B, SER402D, SER66B, SER66D, SER96B, SER96D, THR120B, THR120D, THR324B, THR324D, THR343B, THR343D, THR385B, THR385D, THR387B, THR387D, THR395B, THR395D, THR406B, THR406D, THR94B, THR94D, TRP140B, TRP140D, TRP316B, TRP316D, TRP86B, TRP86D, TYR308B, TYR308D, TYR352B, TYR352D, TYR361B, TYR361D, TYR369B, TYR369D, TYR384B, TYR384D, TYR397B, TYR397D, TYR99B, TYR99D, VAL137B, VAL137D, VAL393B, VAL393D, VAL59B, VAL59D, VAL74B, VAL74D, VAL88B, VAL88D
• C-D: ALA124C, ALA124D, ALA130C, ALA130D, ALA158C, ALA158D, ALA164C, ALA164D, ALA168C, ALA168D, ALA197C, ALA198C, ALA205C, ALA205D, ALA206C, ALA206D, ALA209C, ALA209D, ALA22C, ALA22D, ALA400C, ALA400D, ALA404C, ALA404D, ALA42C, ALA42D, ARG119C, ARG119D, ARG123C, ARG123D, ARG201C, ARG201D, ARG207C, ARG207D, ARG21C, ARG21D, ARG30C, ARG30D, ARG32C, ARG32D, ASN108C, ASN118C, ASN118D, ASN202C, ASN202D, ASN204C, ASN204D, ASP125C, ASP125D, ASP138D, ASP157C, ASP157D, ASP27C, ASP27D, ASP399C, ASP399D, GLN122C, GLN122D, GLN126C, GLN126D, GLU112C, GLU112D, GLU128C, GLU128D, GLU131C, GLU131D, GLU160C, GLU160D, GLU167C, GLU167D, GLU36C, GLU36D, GLU43C, GLU43D, GLY132C, GLY132D, GLY134C, GLY134D, GLY154C, GLY154D, GLY33C, GLY33D, GLY394C, GLY394D, GLY396C, GLY396D, GLY407C, GLY407D, HIS23C, HIS23D, ILE127C, ILE127D, ILE200C, ILE200D, ILE37C, ILE37D, ILE405C, ILE405D, LEU135C, LEU135D, LEU156C, LEU156D, LEU203C, LEU203D, LEU208C, LEU208D, LEU31C, LEU31D, LEU403C, LEU403D, LEU41C, LEU41D, LYS115C, LYS115D, LYS163C, LYS163D, LYS29C, LYS29D, LYS38C, LYS38D, MET213C, MET213D, MET44C, MET44D, PHE141C, PHE141D, PHE159C, PHE159D, PHE398C, PHE398D, PRO111C, PRO111D, PRO155C, PRO155D, SER34C, SER34D, SER402C, SER402D, SER40C, SER40D, THR129C, THR129D, THR139C, THR139D, THR24C, THR24D, THR395C, THR395D, THR406C, THR406D, TRP140C, TRP140D, TYR397C, TYR397D, TYR39C, TYR39D, VAL137D, VAL212C, VAL212D, VAL28C, VAL28D, VAL35C, VAL35D, VAL401C, VAL401D