3NO9

crystal structure of apo fumarate hydratase from mycobacterium tuberculosis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 144
  • Norm. En. per Res.: -3.3665
• 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	-96.5537	-4.5175	-548.782	-649.8532	200	24	26	23216	4	24	22
A-C	-102.5253	-144.4792	-729.84	-976.8445	291	33	23	31230	15	68	60
A-D	-65.2535	-36.969	-382.547	-484.7696	144	41	4	14657	4	14	19
B-C	-62.3161	-33.7833	-365.033	-461.1325	144	33	4	13953	4	14	19
B-D	-87.0808	-109.4691	-682.56	-879.1099	287	22	23	30267	13	67	61
C-D	-94.9718	0.7912	-493.448	-587.6286	199	28	26	22727	4	24	22

Interface residues

• A-B: ALA285A, ALA285B, ALA292B, ALA30B, ALA332A, ALA332B, ALA337A, ALA337B, ALA338A, ALA338B, ALA345A, ALA345B, ALA346A, ALA346B, ALA348A, ALA348B, ALA355A, ALA355B, ALA35A, ALA35B, ALA366A, ALA366B, ARG282A, ARG282B, ARG296A, ARG296B, ARG34A, ARG34B, ARG367A, ARG367B, ARG381A, ARG381B, ARG386A, ARG386B, ARG44A, ARG44B, ARG48A, ARG48B, ASN140A, ASN140B, ASN293A, ASN293B, ASN326A, ASN326B, ASN343A, ASN343B, ASN353A, ASN353B, ASN359A, ASN359B, ASN368A, ASN368B, ASN378A, ASN378B, ASN38A, ASN38B, ASP15B, ASP313A, ASP313B, ASP344A, ASP344B, ASP98A, ASP98B, GLN101A, GLN101B, GLN315A, GLN315B, GLN31B, GLN335A, GLN335B, GLN339A, GLN339B, GLN33A, GLN385A, GLN385B, GLU19A, GLU19B, GLU331A, GLU331B, GLU371A, GLU371B, GLU37A, GLU37B, GLU47A, GLU47B, GLY103A, GLY103B, GLY105A, GLY105B, GLY18B, GLY342A, GLY342B, GLY350A, GLY350B, GLY351A, GLY351B, GLY354A, GLY354B, GLY43A, GLY43B, ILE341A, ILE341B, ILE347A, ILE347B, ILE362A, ILE362B, ILE41A, ILE41B, LEU188A, LEU188B, LEU314A, LEU314B, LEU329A, LEU329B, LEU358A, LEU358B, LEU375A, LEU375B, LEU376A, LEU376B, LEU382A, LEU382B, LYS290A, LYS290B, LYS374A, LYS374B, MET17A, MET17B, MET364A, MET364B, MET365A, MET365B, PHE100A, PHE100B, PHE143A, PHE143B, PHE356A, PHE356B, PHE383A, PHE383B, PHE39A, PHE39B, PRO316A, PRO316B, PRO327A, PRO327B, PRO330A, PRO330B, PRO363A, PRO363B, PRO40A, PRO40B, SER104A, SER104B, SER107A, SER107B, SER300A, SER300B, SER372A, SER380A, SER380B, SER42A, SER42B, THR102A, THR102B, THR106A, THR106B, THR16B, THR289A, THR289B, THR334A, THR334B, THR377A, THR377B, TRP297A, TRP297B, TRP349A, TRP349B, TYR361A, TYR361B, VAL20A, VAL20B, VAL286A, VAL286B, VAL328A, VAL328B, VAL333A, VAL333B, VAL336A, VAL336B, VAL340A, VAL340B, VAL360A, VAL360B, VAL36A, VAL36B, VAL379A, VAL379B, VAL99A, VAL99B
• A-C: ALA174A, ALA174C, ALA191A, ALA191C, ALA204A, ALA204C, ALA209A, ALA209C, ALA216A, ALA216C, ALA230A, ALA230C, ALA237A, ALA237C, ALA261A, ALA261C, ALA262A, ALA262C, ALA267A, ALA267C, ALA269A, ALA269C, ALA270A, ALA270C, ALA277A, ALA277C, ALA280A, ALA280C, ALA285A, ALA285C, ALA337A, ALA337C, ALA345A, ALA345C, ALA346A, ALA346C, ALA348A, ALA348C, ALA352A, ALA352C, ALA355A, ALA355C, ALA462A, ALA462C, ALA464A, ALA464C, ALA466A, ALA466C, ARG185A, ARG185C, ARG205A, ARG205C, ARG213A, ARG213C, ARG215A, ARG215C, ARG220A, ARG220C, ARG259A, ARG259C, ARG271A, ARG271C, ARG282A, ARG282C, ARG296A, ARG296C, ASN140A, ASN140C, ASN236A, ASN236C, ASN263A, ASN263C, ASN293A, ASN293C, ASN343A, ASN343C, ASN353A, ASN353C, ASN359A, ASN359C, ASP190A, ASP190C, ASP239A, ASP239C, ASP240A, ASP240C, ASP272A, ASP272C, ASP294A, ASP294C, ASP344A, ASP344C, ASP459C, CYS217A, CYS217C, GLN101A, GLN101C, GLN198A, GLN198C, GLN206A, GLN206C, GLN268A, GLN268C, GLU199A, GLU199C, GLU208A, GLU208C, GLU212A, GLU212C, GLU223A, GLU223C, GLU266A, GLU266C, GLU276A, GLU276C, GLU308A, GLU308C, GLU357A, GLU357C, GLY103A, GLY103C, GLY105A, GLY105C, GLY184A, GLY184C, GLY197A, GLY197C, GLY202A, GLY202C, GLY210A, GLY210C, GLY227A, GLY227C, GLY228A, GLY228C, GLY232A, GLY232C, GLY234A, GLY234C, GLY273A, GLY273C, GLY279A, GLY279C, GLY299A, GLY299C, GLY350A, GLY350C, GLY351A, GLY351C, GLY354A, GLY354C, HIS148A, HIS148C, HIS187A, HIS187C, ILE207A, ILE207C, ILE211A, ILE211C, ILE284A, ILE284C, ILE291A, ILE291C, ILE295A, ILE295C, ILE309A, ILE309C, ILE341A, ILE341C, ILE347A, ILE347C, ILE362A, ILE362C, ILE369A, ILE369C, ILE408A, ILE408C, LEU188A, LEU188C, LEU196A, LEU196C, LEU221A, LEU221C, LEU235A, LEU235C, LEU274A, LEU274C, LEU281A, LEU281C, LEU288A, LEU288C, LEU306A, LEU306C, LEU358A, LEU358C, LYS182A, LYS182C, LYS290A, LYS290C, LYS465A, LYS465C, MET189A, MET189C, MET298A, MET298C, MET365A, MET365C, MET463A, MET463C, PHE200A, PHE200C, PHE241A, PHE241C, PHE265A, PHE265C, PHE356A, PHE356C, PRO193A, PRO193C, PRO219A, PRO219C, PRO238A, PRO238C, PRO363A, PRO363C, PRO411A, PRO411C, SER104A, SER104C, SER138A, SER138C, SER139A, SER139C, SER183A, SER183C, SER201A, SER201C, SER264A, SER264C, SER278A, SER278C, SER287A, SER287C, SER300A, SER300C, SER407A, SER407C, THR102A, THR102C, THR106A, THR106C, THR186A, THR186C, THR195A, THR195C, THR229A, THR229C, THR233A, THR233C, THR283A, THR283C, THR289A, THR289C, THR334A, THR334C, THR410A, THR410C, TRP297A, TRP297C, TRP349A, TRP349C, TYR203A, TYR203C, VAL181A, VAL181C, VAL192A, VAL192C, VAL194A, VAL194C, VAL214A, VAL214C, VAL231A, VAL231C, VAL275A, VAL275C, VAL286A, VAL286C, VAL360A, VAL360C, VAL460A, VAL460C
• A-D: ALA191A, ALA191D, ALA292A, ALA292D, ALA307A, ALA307D, ALA345A, ALA345D, ALA346A, ALA346D, ALA348A, ALA348D, ALA352A, ALA352D, ALA402A, ALA402D, ALA422A, ALA425A, ALA425D, ALA428A, ALA428D, ARG185A, ARG185D, ARG296A, ARG296D, ARG400A, ARG400D, ARG432A, ARG432D, ASN293A, ASN293D, ASN326A, ASN326D, ASN353A, ASN353D, ASP190A, ASP190D, ASP294A, ASP294D, ASP344A, GLN310A, GLN310D, GLN335D, GLU308A, GLU308D, GLU331A, GLU331D, GLU403A, GLU403D, GLY184A, GLY184D, GLY299A, GLY299D, GLY301A, GLY301D, GLY305A, GLY305D, GLY323A, GLY323D, GLY350A, GLY350D, GLY351A, GLY351D, HIS187A, HIS187D, HIS397A, HIS397D, ILE295A, ILE295D, ILE309A, ILE309D, ILE341A, ILE341D, ILE347A, ILE347D, ILE408A, ILE408D, ILE435A, ILE435D, LEU188A, LEU188D, LEU303A, LEU303D, LEU306A, LEU306D, LEU311A, LEU311D, LEU398A, LEU398D, LEU401A, LEU401D, LEU429A, LEU429D, LYS182A, LYS182D, LYS324A, LYS324D, LYS426A, LYS426D, LYS433A, LYS433D, MET189A, MET189D, MET298A, MET298D, PRO193A, PRO193D, PRO302A, PRO302D, PRO327A, PRO327D, PRO330A, PRO330D, PRO406A, PRO406D, SER183A, SER183D, SER300A, SER300D, SER404A, SER404D, SER405A, SER405D, SER407A, SER407D, THR186A, THR186D, THR304A, THR304D, THR434A, THR434D, TRP297A, TRP297D, TRP349A, TRP349D, TYR361D, VAL192A, VAL192D, VAL275A, VAL275D, VAL325A, VAL325D, VAL328A, VAL328D
• B-C: ALA191B, ALA191C, ALA292B, ALA292C, ALA307B, ALA307C, ALA345B, ALA345C, ALA346B, ALA346C, ALA348B, ALA348C, ALA352B, ALA352C, ALA402B, ALA402C, ALA425B, ALA425C, ALA428B, ALA428C, ARG185B, ARG185C, ARG296B, ARG296C, ARG400B, ARG400C, ARG432B, ARG432C, ASN293B, ASN293C, ASN326B, ASN326C, ASN353B, ASN353C, ASN394B, ASP190B, ASP190C, ASP294B, ASP294C, ASP344C, GLN310B, GLN310C, GLN335B, GLU308B, GLU308C, GLU331B, GLU331C, GLU396C, GLU403B, GLU403C, GLY184B, GLY184C, GLY299B, GLY299C, GLY301B, GLY301C, GLY305B, GLY305C, GLY323B, GLY323C, GLY350B, GLY350C, GLY351B, GLY351C, HIS187B, HIS187C, HIS397B, HIS397C, ILE295B, ILE295C, ILE309B, ILE309C, ILE341B, ILE341C, ILE347B, ILE347C, ILE408B, ILE408C, ILE435B, ILE435C, LEU188B, LEU188C, LEU303B, LEU303C, LEU306B, LEU306C, LEU311B, LEU311C, LEU398B, LEU398C, LEU401B, LEU401C, LEU429B, LEU429C, LYS182B, LYS182C, LYS324B, LYS324C, LYS426B, LYS426C, LYS433B, LYS433C, MET189B, MET189C, MET298B, MET298C, PRO193B, PRO193C, PRO302B, PRO302C, PRO327B, PRO327C, PRO330B, PRO330C, PRO406B, PRO406C, SER183B, SER183C, SER300B, SER300C, SER404B, SER404C, SER405B, SER405C, SER407B, SER407C, THR186B, THR186C, THR304B, THR304C, THR434B, THR434C, TRP297B, TRP297C, TRP349B, TRP349C, TYR361B, TYR361C, VAL275B, VAL275C, VAL325B, VAL325C, VAL328B, VAL328C
• B-D: ALA174B, ALA174D, ALA191B, ALA191D, ALA204B, ALA204D, ALA209B, ALA209D, ALA216B, ALA216D, ALA230B, ALA230D, ALA237B, ALA237D, ALA261B, ALA261D, ALA262B, ALA262D, ALA267B, ALA267D, ALA269B, ALA269D, ALA270B, ALA270D, ALA277B, ALA277D, ALA280B, ALA280D, ALA285B, ALA285D, ALA337B, ALA337D, ALA345B, ALA345D, ALA346B, ALA346D, ALA348B, ALA348D, ALA352B, ALA352D, ALA355B, ALA355D, ALA462B, ALA462D, ALA464B, ALA464D, ALA466B, ALA466D, ARG185B, ARG185D, ARG205B, ARG205D, ARG213B, ARG213D, ARG215B, ARG215D, ARG220B, ARG220D, ARG259B, ARG259D, ARG271B, ARG271D, ARG282B, ARG282D, ARG296B, ARG296D, ASN140B, ASN140D, ASN236B, ASN236D, ASN263B, ASN263D, ASN293B, ASN293D, ASN343B, ASN343D, ASN353B, ASN353D, ASN359B, ASN359D, ASP131B, ASP131D, ASP190B, ASP190D, ASP239B, ASP239D, ASP240B, ASP272B, ASP272D, ASP294B, ASP294D, ASP344B, ASP344D, CYS217B, CYS217D, GLN198B, GLN198D, GLN206B, GLN206D, GLN268B, GLN268D, GLU199B, GLU199D, GLU208B, GLU208D, GLU212B, GLU212D, GLU223B, GLU223D, GLU266B, GLU266D, GLU276B, GLU276D, GLU308B, GLU308D, GLU357B, GLU357D, GLY103B, GLY103D, GLY105B, GLY105D, GLY184B, GLY184D, GLY197B, GLY197D, GLY202B, GLY202D, GLY210B, GLY210D, GLY227B, GLY228B, GLY228D, GLY232B, GLY232D, GLY234B, GLY234D, GLY273B, GLY273D, GLY279B, GLY279D, GLY299B, GLY299D, GLY350B, GLY350D, GLY351B, GLY351D, GLY354B, GLY354D, HIS148B, HIS148D, HIS187B, HIS187D, ILE207B, ILE207D, ILE211B, ILE211D, ILE284B, ILE284D, ILE291B, ILE291D, ILE295B, ILE295D, ILE309B, ILE309D, ILE341B, ILE341D, ILE347B, ILE347D, ILE362B, ILE362D, ILE369B, ILE369D, ILE408B, ILE408D, LEU188B, LEU188D, LEU196B, LEU196D, LEU221B, LEU221D, LEU235B, LEU235D, LEU274B, LEU274D, LEU281B, LEU281D, LEU288B, LEU288D, LEU306B, LEU306D, LEU358B, LEU358D, LYS182B, LYS182D, LYS290B, LYS290D, LYS465B, LYS465D, MET189B, MET189D, MET298B, MET298D, MET365B, MET365D, MET463B, MET463D, PHE200B, PHE200D, PHE241B, PHE265B, PHE265D, PHE356B, PHE356D, PRO193B, PRO193D, PRO219B, PRO219D, PRO238B, PRO238D, PRO411B, PRO411D, SER104B, SER104D, SER107B, SER138B, SER138D, SER139B, SER139D, SER183B, SER183D, SER201B, SER201D, SER264B, SER264D, SER278B, SER278D, SER287B, SER287D, SER300B, SER300D, SER407B, SER407D, THR102B, THR102D, THR106B, THR106D, THR186B, THR186D, THR195B, THR195D, THR229B, THR229D, THR233B, THR233D, THR283B, THR283D, THR289B, THR289D, THR334B, THR334D, THR410B, THR410D, TRP297B, TRP297D, TRP349B, TRP349D, TYR203B, TYR203D, TYR418B, TYR418D, VAL181B, VAL192B, VAL192D, VAL194B, VAL194D, VAL214B, VAL214D, VAL231B, VAL231D, VAL275B, VAL275D, VAL286B, VAL286D, VAL360B, VAL360D, VAL460B, VAL460D
• C-D: ALA285C, ALA285D, ALA292C, ALA292D, ALA30C, ALA332C, ALA332D, ALA337C, ALA337D, ALA338C, ALA338D, ALA345C, ALA345D, ALA346C, ALA346D, ALA348C, ALA348D, ALA355C, ALA355D, ALA35C, ALA35D, ALA366C, ALA366D, ARG282C, ARG282D, ARG296C, ARG296D, ARG34C, ARG34D, ARG367C, ARG367D, ARG381C, ARG381D, ARG386C, ARG386D, ARG44C, ARG44D, ARG48C, ARG48D, ASN140C, ASN140D, ASN293C, ASN293D, ASN326C, ASN326D, ASN343C, ASN343D, ASN353C, ASN353D, ASN359C, ASN359D, ASN368C, ASN368D, ASN378C, ASN378D, ASN38C, ASN38D, ASP15D, ASP313C, ASP313D, ASP344C, ASP344D, ASP98C, ASP98D, GLN101C, GLN101D, GLN315C, GLN315D, GLN31C, GLN31D, GLN335C, GLN335D, GLN339C, GLN339D, GLN33C, GLN385C, GLU331C, GLU331D, GLU371C, GLU371D, GLU37C, GLU37D, GLU47C, GLU47D, GLY103C, GLY103D, GLY105C, GLY105D, GLY18D, GLY342C, GLY342D, GLY350C, GLY350D, GLY351C, GLY351D, GLY354C, GLY354D, GLY43C, GLY43D, ILE341C, ILE341D, ILE347C, ILE347D, ILE362C, ILE362D, ILE41C, ILE41D, LEU188C, LEU188D, LEU314C, LEU314D, LEU329C, LEU329D, LEU358C, LEU358D, LEU375C, LEU375D, LEU376C, LEU376D, LEU382C, LEU382D, LYS290C, LYS290D, LYS374C, LYS374D, MET110C, MET17C, MET17D, MET364C, MET364D, MET365C, MET365D, PHE100C, PHE100D, PHE143C, PHE143D, PHE356C, PHE356D, PHE383C, PHE383D, PHE39C, PHE39D, PRO316C, PRO316D, PRO327C, PRO327D, PRO330C, PRO330D, PRO363C, PRO363D, PRO40C, PRO40D, SER104C, SER104D, SER107C, SER107D, SER300C, SER300D, SER380C, SER380D, SER42C, SER42D, THR102C, THR102D, THR106C, THR106D, THR16C, THR289C, THR289D, THR32C, THR334C, THR334D, THR377C, THR377D, TRP297C, TRP297D, TRP349C, TRP349D, TYR361C, TYR361D, VAL20D, VAL286C, VAL286D, VAL328C, VAL328D, VAL333C, VAL333D, VAL336C, VAL336D, VAL340C, VAL340D, VAL360C, VAL360D, VAL36C, VAL36D, VAL379C, VAL379D, VAL99C, VAL99D