3I4E

crystal structure of isocitrate lyase from burkholderia pseudomallei

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 321
  • Norm. En. per Res.: -4.5092
• 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	-7.274	-8.7397	-179.016	-195.0297	113	18	3	8629	4	19	23
A-C	-75.6953	-4.4928	-529.03	-609.2182	183	22	19	21117	4	47	51
A-D	-95.873	-80.6532	-1247.96	-1424.4862	321	33	43	46720	6	65	44
B-C	-73.8286	-76.6042	-1297.03	-1447.4628	321	36	44	48069	7	66	45
B-D	-104.9557	-30.3275	-548.586	-683.8692	186	25	20	21613	4	46	51
C-D	-9.5605	-6.5544	-172.18	-188.295	109	11	3	8215	0	18	22

Interface residues

• A-B: ALA111A, ALA111B, ALA165A, ALA165B, ALA171A, ALA171B, ALA187A, ALA187B, ALA208A, ALA99A, ALA99B, ARG204A, ARG204B, ARG254A, ARG254B, ASN112A, ASN112B, ASN164A, ASN164B, ASN97A, ASN97B, ASP105A, ASP241A, ASP241B, ASP243A, ASP243B, CYS192A, CYS192B, GLN106A, GLN106B, GLU101A, GLU101B, GLU167A, GLU167B, GLU174A, GLU174B, GLU205A, GLU205B, GLU257A, GLU257B, GLY100A, GLY100B, GLY158A, GLY158B, GLY160A, GLY160B, GLY161A, GLY161B, GLY258A, GLY258B, ILE242A, ILE242B, LEU108A, LEU108B, LEU116A, LEU116B, LEU163A, LEU163B, LEU168A, LEU168B, LEU186A, LEU186B, LYS170A, LYS170B, LYS190A, LYS190B, LYS191A, LYS191B, LYS209A, LYS209B, LYS247A, LYS247B, MET102B, PHE159A, PHE159B, PHE166A, PHE166B, PHE259A, PHE259B, PHE260A, PHE260B, PRO104A, PRO104B, PRO110A, PRO110B, PRO115A, PRO115B, PRO202A, PRO202B, SER107A, SER107B, SER113A, SER113B, SER188A, SER188B, SER240A, SER240B, THR239A, THR239B, THR255A, THR255B, TYR103A, TYR103B, TYR109A, TYR109B, VAL162A, VAL162B, VAL189A, VAL189B, VAL256A, VAL256B, VAL98A, VAL98B
• A-C: ALA128A, ALA128C, ALA165A, ALA165C, ALA175A, ALA175C, ALA208A, ALA208C, ALA212A, ALA212C, ALA213A, ALA213C, ALA216A, ALA216C, ALA26A, ALA26C, ALA405A, ALA405C, ALA46A, ALA46C, ALA7A, ARG127A, ARG127C, ARG204A, ARG204C, ARG214A, ARG214C, ARG34A, ARG34C, ARG36A, ARG36C, ARG3A, ARG3C, ARG412A, ARG412C, ARG48A, ARG48C, ASN122A, ASN122C, ASN123A, ASN123C, ASN138A, ASN138C, ASN164A, ASN164C, ASP129A, ASP129C, ASP141A, ASP141C, ASP146A, ASP146C, ASP31A, ASP31C, ASP404A, ASP404C, GLN130A, GLN130C, GLN132A, GLN132C, GLN408A, GLN408C, GLN40A, GLN40C, GLN41A, GLN41C, GLN4A, GLN4C, GLN6A, GLN6C, GLU135A, GLU135C, GLU167A, GLU167C, GLU174A, GLU174C, GLU205A, GLU205C, GLU30A, GLU30C, GLU411A, GLU411C, GLU42A, GLU42C, GLY136A, GLY136C, GLY161A, GLY161C, GLY176A, GLY176C, GLY37A, GLY37C, GLY399A, GLY399C, GLY401A, GLY401C, HIS43A, HIS43C, ILE131A, ILE131C, ILE39A, ILE39C, LEU116A, LEU116C, LEU163A, LEU163C, LEU210A, LEU210C, LEU215A, LEU215C, LEU35A, LEU35C, LEU45A, LEU45C, LYS119A, LYS119C, LYS137A, LYS137C, LYS170A, LYS170C, LYS209A, LYS209C, LYS47A, LYS47C, LYS52A, LYS52C, MET1A, MET1C, MET220A, MET220C, PHE147A, PHE147C, PHE148A, PHE148C, PHE166A, PHE166C, PHE27A, PHE27C, PHE403A, PHE403C, PRO139A, PRO139C, SER134A, SER134C, SER2A, SER2C, SER38A, SER38C, THR126A, THR126C, THR211A, THR211C, THR28A, THR28C, THR400A, THR400C, THR407A, THR407C, THR409A, THR409C, THR44A, THR44C, TRP133A, TRP133C, TYR144A, TYR144C, TYR402A, TYR402C, VAL145A, VAL145C, VAL162A, VAL162C, VAL207A, VAL207C, VAL219A, VAL219C, VAL32A, VAL32C, VAL33A, VAL33C, VAL406A, VAL406C, VAL410A, VAL410C
• A-D: ALA128A, ALA128D, ALA187A, ALA328A, ALA328D, ALA331A, ALA331D, ALA350A, ALA350D, ALA354A, ALA354D, ALA363A, ALA363D, ALA367A, ALA367D, ALA373A, ALA373D, ALA380A, ALA380D, ALA383A, ALA383D, ALA384A, ALA384D, ALA385A, ALA385D, ALA391A, ALA391D, ALA405A, ALA405D, ALA65A, ALA65D, ALA68A, ALA68D, ALA74A, ALA74D, ALA80A, ALA80D, ALA84A, ALA84D, ALA93A, ALA93D, ALA96A, ALA96D, ALA99A, ALA99D, ARG120A, ARG120D, ARG127A, ARG127D, ARG368A, ARG368D, ARG396A, ARG396D, ARG412A, ARG412D, ASN122A, ASN122D, ASN123A, ASN123D, ASN314D, ASN320A, ASN320D, ASN324A, ASN324D, ASN356A, ASN356D, ASN361A, ASN361D, ASN64A, ASN64D, ASN72A, ASN72D, ASN97A, ASN97D, ASP105A, ASP105D, ASP129A, ASP129D, ASP326D, ASP327A, ASP327D, ASP386A, ASP386D, ASP404A, ASP404D, ASP95A, ASP95D, CYS192A, CYS192D, CYS315A, CYS315D, GLN106A, GLN106D, GLN130A, GLN130D, GLN334A, GLN334D, GLN345A, GLN345D, GLN370A, GLN370D, GLN378A, GLN378D, GLN379A, GLN379D, GLN395A, GLN395D, GLN408A, GLN408D, GLN73A, GLN73D, GLN76A, GLN76D, GLN77A, GLN77D, GLN91A, GLN91D, GLU101A, GLU101D, GLU257A, GLU257D, GLU336A, GLU376A, GLU376D, GLU381A, GLU381D, GLU397A, GLU397D, GLU411A, GLU411D, GLY100A, GLY100D, GLY193A, GLY193D, GLY351A, GLY351D, GLY365A, GLY365D, GLY388A, GLY388D, GLY399A, GLY399D, GLY401A, GLY401D, GLY67A, GLY67D, GLY71A, GLY71D, GLY81A, GLY81D, GLY94A, GLY94D, HIS194A, HIS194D, HIS353A, HIS353D, HIS364A, HIS364D, HIS394A, HIS394D, ILE121A, ILE121D, ILE131A, ILE131D, ILE330A, ILE330D, ILE347A, ILE347D, ILE85D, LEU108A, LEU108D, LEU116A, LEU116D, LEU125A, LEU125D, LEU292A, LEU325A, LEU325D, LEU337A, LEU337D, LEU349A, LEU349D, LEU355A, LEU355D, LEU362A, LEU362D, LEU377A, LEU377D, LEU66A, LEU66D, LEU69A, LEU69D, LEU82A, LEU82D, LYS119A, LYS119D, LYS190A, LYS190D, LYS191A, LYS191D, LYS322A, LYS322D, LYS323A, LYS323D, LYS332A, LYS332D, LYS335A, LYS335D, LYS387A, LYS387D, LYS393A, LYS393D, LYS79A, LYS79D, LYS83A, LYS83D, MET102A, MET102D, MET359A, MET359D, MET371A, MET371D, MET75A, MET75D, PHE259A, PHE259D, PHE319A, PHE319D, PHE333A, PHE333D, PHE346A, PHE346D, PHE352A, PHE352D, PHE360A, PHE360D, PHE374A, PHE374D, PHE382A, PHE382D, PHE389A, PHE389D, PHE403A, PHE403D, PHE62A, PHE62D, PRO104A, PRO104D, PRO290A, PRO290D, PRO317A, PRO317D, SER113A, SER113D, SER188A, SER188D, SER316A, SER316D, SER318A, SER318D, SER358A, SER358D, SER372A, SER372D, THR124A, THR124D, THR126A, THR126D, THR329A, THR329D, THR348A, THR348D, THR369A, THR369D, THR390A, THR390D, THR400A, THR400D, THR407A, THR407D, THR409A, THR409D, THR70A, THR70D, TRP321A, TRP321D, TRP90A, TRP90D, TYR103A, TYR103D, TYR313A, TYR313D, TYR357A, TYR357D, TYR366A, TYR366D, TYR402A, TYR402D, TYR86D, VAL117A, VAL117D, VAL189A, VAL189D, VAL256A, VAL256D, VAL375A, VAL375D, VAL392A, VAL392D, VAL398A, VAL398D, VAL406A, VAL406D, VAL63A, VAL63D, VAL78A, VAL78D, VAL92A, VAL92D, VAL98A, VAL98D
• B-C: ALA128B, ALA128C, ALA328B, ALA328C, ALA331B, ALA331C, ALA350B, ALA350C, ALA354B, ALA354C, ALA363B, ALA363C, ALA367B, ALA367C, ALA373B, ALA373C, ALA380B, ALA380C, ALA383B, ALA383C, ALA384B, ALA384C, ALA385B, ALA385C, ALA391B, ALA391C, ALA405B, ALA405C, ALA65B, ALA65C, ALA68B, ALA68C, ALA74B, ALA74C, ALA80B, ALA80C, ALA84B, ALA84C, ALA93B, ALA93C, ALA96B, ALA96C, ALA99B, ALA99C, ARG120B, ARG120C, ARG127B, ARG127C, ARG368B, ARG368C, ARG396B, ARG396C, ARG412B, ASN122B, ASN122C, ASN123B, ASN123C, ASN314C, ASN320B, ASN320C, ASN324B, ASN324C, ASN356B, ASN356C, ASN361B, ASN361C, ASN64B, ASN64C, ASN72B, ASN72C, ASN97B, ASN97C, ASP105B, ASP105C, ASP129B, ASP129C, ASP326B, ASP326C, ASP327B, ASP327C, ASP386B, ASP386C, ASP404B, ASP404C, ASP95B, ASP95C, CYS192B, CYS192C, CYS315B, CYS315C, GLN106B, GLN106C, GLN130B, GLN130C, GLN334B, GLN334C, GLN345B, GLN345C, GLN370B, GLN370C, GLN378B, GLN378C, GLN379B, GLN379C, GLN395B, GLN395C, GLN408B, GLN408C, GLN73B, GLN73C, GLN76B, GLN76C, GLN77B, GLN77C, GLN91B, GLN91C, GLU101B, GLU101C, GLU257B, GLU257C, GLU336B, GLU336C, GLU376B, GLU376C, GLU381B, GLU381C, GLU397B, GLU397C, GLU411B, GLU411C, GLY100B, GLY100C, GLY193B, GLY193C, GLY351B, GLY351C, GLY365B, GLY365C, GLY388B, GLY388C, GLY399B, GLY399C, GLY401B, GLY401C, GLY67B, GLY67C, GLY71B, GLY71C, GLY81B, GLY81C, GLY94B, GLY94C, HIS194B, HIS194C, HIS353B, HIS353C, HIS364B, HIS364C, HIS394B, HIS394C, ILE121B, ILE121C, ILE131B, ILE131C, ILE330B, ILE330C, ILE347B, ILE347C, LEU108B, LEU108C, LEU116B, LEU116C, LEU125B, LEU125C, LEU325B, LEU325C, LEU337B, LEU337C, LEU349B, LEU349C, LEU355B, LEU355C, LEU362B, LEU362C, LEU377B, LEU377C, LEU66B, LEU66C, LEU69B, LEU69C, LEU82B, LEU82C, LYS119B, LYS119C, LYS190B, LYS190C, LYS191B, LYS191C, LYS198C, LYS322B, LYS322C, LYS323B, LYS323C, LYS332B, LYS332C, LYS335B, LYS335C, LYS387B, LYS387C, LYS393B, LYS393C, LYS79B, LYS79C, LYS83B, LYS83C, MET102B, MET102C, MET359B, MET359C, MET371B, MET371C, MET75B, MET75C, PHE147B, PHE147C, PHE259B, PHE319B, PHE319C, PHE333B, PHE333C, PHE344B, PHE346B, PHE346C, PHE352B, PHE352C, PHE360B, PHE360C, PHE374B, PHE374C, PHE382B, PHE382C, PHE389B, PHE389C, PHE403B, PHE403C, PHE62B, PHE62C, PRO104B, PRO104C, PRO290B, PRO290C, PRO317B, PRO317C, PRO61B, SER113B, SER113C, SER188B, SER188C, SER316B, SER316C, SER318B, SER318C, SER358B, SER358C, SER372B, SER372C, THR124B, THR124C, THR126B, THR126C, THR329B, THR329C, THR348B, THR348C, THR369B, THR369C, THR390B, THR390C, THR400B, THR400C, THR407B, THR407C, THR409B, THR70B, THR70C, TRP321B, TRP321C, TRP90B, TRP90C, TYR103B, TYR103C, TYR313B, TYR313C, TYR357B, TYR357C, TYR366B, TYR366C, TYR402B, TYR402C, VAL117B, VAL117C, VAL189B, VAL189C, VAL256B, VAL256C, VAL375B, VAL375C, VAL392B, VAL392C, VAL398B, VAL398C, VAL406B, VAL406C, VAL63B, VAL63C, VAL78B, VAL78C, VAL92B, VAL92C, VAL98B, VAL98C
• B-D: ALA128B, ALA128D, ALA165B, ALA165D, ALA171B, ALA175B, ALA175D, ALA208B, ALA208D, ALA212B, ALA212D, ALA213B, ALA213D, ALA216B, ALA216D, ALA26B, ALA26D, ALA405B, ALA405D, ALA46B, ALA46D, ALA7B, ARG120D, ARG127B, ARG127D, ARG204B, ARG204D, ARG214B, ARG214D, ARG34B, ARG34D, ARG36B, ARG36D, ARG3B, ARG3D, ARG412B, ARG412D, ARG48B, ARG48D, ASN112B, ASN122B, ASN122D, ASN123B, ASN123D, ASN138B, ASN138D, ASN164B, ASN164D, ASP129B, ASP129D, ASP141B, ASP141D, ASP146B, ASP146D, ASP31B, ASP31D, ASP404B, ASP404D, GLN130B, GLN130D, GLN132B, GLN132D, GLN408B, GLN408D, GLN40B, GLN40D, GLN41B, GLN41D, GLN4B, GLN4D, GLN6B, GLN6D, GLU135B, GLU135D, GLU167B, GLU167D, GLU174B, GLU174D, GLU205B, GLU205D, GLU30B, GLU30D, GLU411B, GLU411D, GLU42B, GLU42D, GLY136B, GLY136D, GLY161B, GLY161D, GLY176B, GLY176D, GLY37B, GLY37D, GLY399B, GLY399D, GLY401B, GLY401D, HIS43B, HIS43D, ILE131B, ILE131D, ILE39B, ILE39D, LEU116B, LEU116D, LEU125D, LEU163B, LEU163D, LEU210B, LEU210D, LEU215B, LEU215D, LEU35B, LEU35D, LEU45B, LEU45D, LYS119B, LYS119D, LYS137B, LYS137D, LYS170B, LYS170D, LYS209B, LYS209D, LYS47B, LYS52B, LYS52D, MET1B, MET1D, MET220B, MET220D, PHE147B, PHE147D, PHE148B, PHE148D, PHE166B, PHE166D, PHE27B, PHE27D, PHE403B, PHE403D, PRO139B, PRO139D, SER134B, SER134D, SER2B, SER2D, SER38B, SER38D, THR126B, THR126D, THR211B, THR211D, THR28B, THR28D, THR400B, THR400D, THR407B, THR407D, THR409B, THR409D, THR44B, THR44D, TRP133B, TRP133D, TYR144B, TYR144D, TYR402B, TYR402D, VAL145B, VAL145D, VAL162B, VAL162D, VAL207B, VAL207D, VAL219B, VAL219D, VAL32B, VAL32D, VAL33B, VAL33D, VAL406B, VAL406D, VAL410B, VAL410D
• C-D: ALA111C, ALA111D, ALA165C, ALA165D, ALA171C, ALA171D, ALA187C, ALA187D, ALA99C, ALA99D, ARG204C, ARG204D, ARG254C, ARG254D, ASN112C, ASN112D, ASN164C, ASN164D, ASN97C, ASN97D, ASP241C, ASP241D, ASP243C, ASP243D, CYS192C, CYS192D, GLN106C, GLN106D, GLU101C, GLU101D, GLU167C, GLU167D, GLU174C, GLU174D, GLU205C, GLU205D, GLU257C, GLU257D, GLY100C, GLY100D, GLY158D, GLY160C, GLY160D, GLY161C, GLY161D, GLY258C, GLY258D, ILE242C, ILE242D, LEU108C, LEU108D, LEU116C, LEU116D, LEU163C, LEU163D, LEU168C, LEU168D, LEU186C, LEU186D, LYS170C, LYS170D, LYS190C, LYS190D, LYS209C, LYS209D, LYS247C, LYS247D, MET102C, MET102D, PHE159C, PHE159D, PHE166C, PHE166D, PHE259C, PHE259D, PHE260C, PHE260D, PRO104C, PRO104D, PRO110C, PRO110D, PRO115C, PRO115D, PRO202C, PRO202D, SER107C, SER107D, SER113C, SER113D, SER188C, SER188D, SER240C, SER240D, THR239C, THR239D, THR255C, THR255D, TYR103C, TYR103D, TYR109C, TYR109D, VAL162C, VAL162D, VAL189C, VAL189D, VAL256C, VAL256D, VAL98C, VAL98D