3E04

crystal structure of human fumarate hydratase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 144
  • Norm. En. per Res.: -3.8381
• 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	-85.372	-32.2441	-694.772	-812.3881	246	19	18	27531	4	37	38
A-C	-100.1147	-45.5644	-407.013	-552.6921	144	37	2	15622	4	34	33
A-D	-150.2631	18.6565	-878.791	-1010.3976	307	34	14	34578	2	62	54
B-C	-144.1009	12.6101	-889.587	-1021.0778	294	38	14	34789	2	55	53
B-D	-103.4856	-37.461	-547.549	-688.4956	180	22	2	20079	4	42	45
C-D	-111.5622	-24.9431	-655.358	-791.8633	234	25	17	25678	4	34	35

Interface residues

• A-B: ALA278A, ALA332A, ALA332B, ALA379A, ALA379B, ALA384A, ALA384B, ALA385A, ALA385B, ALA393A, ALA393B, ALA426A, ALA426B, ALA70A, ALA70B, ARG343A, ARG343B, ARG421A, ARG421B, ARG74A, ARG74B, ARG87A, ARG87B, ASN150A, ASN154A, ASN178A, ASN182A, ASN188A, ASN188B, ASN284A, ASN329A, ASN329B, ASN340A, ASN340B, ASN361A, ASN361B, ASN373A, ASN373B, ASN390A, ASN390B, ASN400A, ASN400B, ASN406A, ASN406B, ASN415A, ASN415B, ASN433A, ASN433B, ASN78A, ASN78B, ASP179A, ASP189A, ASP425A, ASP425B, ASP55A, CYS333A, CYS333B, CYS377A, CYS377B, GLN142A, GLN142B, GLN148A, GLN148B, GLN185A, GLN376A, GLN376B, GLN386A, GLN386B, GLN71A, GLN71B, GLU360A, GLU360B, GLU362A, GLU362B, GLU378A, GLU378B, GLU404A, GLU432A, GLU432B, GLU86A, GLU86B, GLY144A, GLY144B, GLY146A, GLY146B, GLY276A, GLY280A, GLY282A, GLY352A, GLY352B, GLY364A, GLY364B, GLY370B, GLY389A, GLY389B, GLY397A, GLY397B, GLY398A, GLY398B, GLY401A, GLY401B, GLY424A, GLY424B, GLY58A, GLY82A, GLY82B, GLY83A, GLY83B, HIS176A, HIS391A, HIS391B, HIS402A, HIS402B, HIS418A, HIS418B, ILE367B, ILE81A, ILE81B, LEU283A, LEU353A, LEU353B, LEU405A, LEU405B, LEU422A, LEU422B, LEU423A, LEU423B, LEU60A, LEU60B, LYS183A, LYS371B, LYS409A, LYS409B, LYS414A, LYS414B, LYS80A, LYS80B, MET151A, MET151B, MET336A, MET336B, MET368B, MET380A, MET380B, MET382A, MET382B, MET388A, MET388B, MET411A, MET411B, MET412A, MET412B, MET77A, MET77B, MET88A, MET88B, PHE191B, PHE344A, PHE344B, PHE403A, PHE403B, PHE408A, PHE408B, PHE430A, PHE430B, PHE57A, PHE79A, PHE79B, PRO177A, PRO359B, PRO363A, PRO363B, PRO369B, PRO374A, PRO374B, PRO410A, PRO410B, PRO89A, PRO89B, PRO91A, PRO91B, SER145A, SER145B, SER184A, SER186A, SER187A, SER187B, SER347A, SER347B, SER365B, SER366B, SER399A, SER399B, SER427A, SER427B, SER429A, SER429B, SER75A, SER75B, THR143A, THR143B, THR147A, THR147B, THR236B, THR277A, THR285A, THR375A, THR375B, THR381A, THR381B, THR395A, THR395B, THR56A, THR76A, THR76B, THR85A, THR85B, THR90A, THR90B, TRP141A, TRP141B, VAL139A, VAL139B, VAL140A, VAL140B, VAL206A, VAL206B, VAL279A, VAL372A, VAL372B, VAL383A, VAL383B, VAL387A, VAL387B, VAL392A, VAL392B, VAL394A, VAL394B, VAL396A, VAL396B, VAL407A, VAL407B, VAL428A, VAL428B, VAL84A, VAL84B
• A-C: ALA239A, ALA239C, ALA468A, ALA469A, ALA472A, ALA475A, ARG233A, ARG233C, ARG343A, ARG343C, ARG350A, ARG350C, ARG444A, ARG444C, ASN340A, ASN340C, ASN373A, ASN373C, ASN400A, ASN400C, ASN450A, ASN450C, ASN460A, ASN478A, ASP238A, ASP238C, ASP341A, ASP341C, CYS377A, CYS377C, GLN237A, GLN237C, GLU355A, GLU355C, GLU360A, GLU360C, GLU362C, GLU378A, GLU378C, GLU451A, GLU451C, GLU484A, GLY232A, GLY232C, GLY346A, GLY346C, GLY348A, GLY348C, GLY352A, GLY352C, GLY354A, GLY354C, GLY364A, GLY370A, GLY370C, GLY389A, GLY389C, GLY479A, HIS235A, HIS235C, HIS391A, HIS391C, HIS402A, HIS402C, HIS476A, ILE231A, ILE231C, ILE342A, ILE342C, ILE357C, ILE367C, ILE445A, ILE445C, ILE471A, LEU345A, LEU345C, LEU353A, LEU353C, LEU356C, LEU358A, LEU358C, LEU448A, LEU448C, LEU453A, LEU453C, LEU455A, LEU482A, LYS230A, LYS230C, LYS371A, LYS371C, LYS447A, LYS447C, LYS473A, LYS477A, LYS483A, MET368C, MET388A, MET388C, MET449A, MET449C, MET454A, MET454C, MET506A, PHE344A, PHE344C, PRO241A, PRO349A, PRO349C, PRO369C, PRO374A, PRO374C, SER347A, SER347C, SER351A, SER351C, SER365C, SER366C, SER399A, SER399C, SER452A, SER452C, SER480A, THR234A, THR234C, THR236A, THR236C, THR375A, THR375C, THR395A, THR395C, THR457A, THR474A, THR481A, THR485A, TYR465A, VAL240A, VAL372A, VAL372C, VAL392A, VAL392C, VAL396A, VAL396C, VAL456A
• A-D: ALA239A, ALA239D, ALA258A, ALA258D, ALA264A, ALA264D, ALA265A, ALA265D, ALA278A, ALA278D, ALA290A, ALA290D, ALA308A, ALA308D, ALA314A, ALA314D, ALA316A, ALA316D, ALA317A, ALA317D, ALA320A, ALA320D, ALA327A, ALA327D, ALA332A, ALA332D, ALA384A, ALA384D, ALA385A, ALA385D, ALA458D, ALA469D, ARG233A, ARG233D, ARG261A, ARG261D, ARG268A, ARG268D, ARG286A, ARG286D, ARG343A, ARG343D, ASN178A, ASN188A, ASN188D, ASN284A, ASN284D, ASN310A, ASN310D, ASN329A, ASN329D, ASN340A, ASN340D, ASN400A, ASN400D, ASN406A, ASN406D, ASN460A, ASN460D, ASP179A, ASP238A, ASP238D, ASP319A, ASP319D, ASP341A, ASP341D, ASP466D, ASP505A, ASP505D, CYS333A, CYS333D, GLN148A, GLN148D, GLN237A, GLN237D, GLN246A, GLN246D, GLN253A, GLN253D, GLN254A, GLN254D, GLN71A, GLU247A, GLU247D, GLU271A, GLU271D, GLU291A, GLU291D, GLU313A, GLU313D, GLU323A, GLU323D, GLU355A, GLU355D, GLU404A, GLU404D, GLY144A, GLY144D, GLY146A, GLY146D, GLY232A, GLY232D, GLY245A, GLY245D, GLY250A, GLY250D, GLY275A, GLY275D, GLY276A, GLY276D, GLY280A, GLY280D, GLY282A, GLY282D, GLY288A, GLY288D, GLY326A, GLY326D, GLY346A, GLY346D, GLY389A, GLY389D, GLY397A, GLY397D, GLY398A, GLY398D, GLY401A, GLY401D, GLY464D, GLY508A, GLY508D, HIS176A, HIS196A, HIS196D, HIS235A, HIS235D, HIS318A, HIS318D, HIS391A, HIS391D, HIS402A, HIS402D, HIS462D, ILE229A, ILE229D, ILE231A, ILE231D, ILE262A, ILE262D, ILE269A, ILE269D, ILE287A, ILE287D, ILE338A, ILE338D, ILE342A, ILE342D, LEU242A, LEU242D, LEU244A, LEU244D, LEU283A, LEU283D, LEU315A, LEU315D, LEU321A, LEU321D, LEU324A, LEU324D, LEU335A, LEU335D, LEU345A, LEU345D, LEU353A, LEU353D, LEU356D, LEU405A, LEU405D, LEU455A, LEU455D, LEU459D, LEU507A, LEU507D, LYS172A, LYS230A, LYS230D, LYS256A, LYS256D, LYS311A, LYS311D, LYS337A, LYS337D, LYS409A, LYS409D, LYS510D, MET259D, MET328A, MET328D, MET336A, MET336D, MET388A, MET388D, MET412A, MET412D, MET454A, MET454D, MET506A, MET506D, PHE248A, PHE248D, PHE289A, PHE289D, PHE312A, PHE312D, PHE344A, PHE344D, PHE403A, PHE403D, PHE57A, PRO241A, PRO241D, PRO267A, PRO267D, PRO309A, PRO309D, PRO461D, PRO503A, PRO503D, PRO509A, PRO509D, SER145A, SER145D, SER186A, SER186D, SER187A, SER187D, SER222A, SER222D, SER249A, SER249D, SER325A, SER325D, SER334A, SER334D, SER347A, SER347D, SER399A, SER399D, THR143A, THR143D, THR147A, THR147D, THR234A, THR234D, THR236A, THR236D, THR243A, THR243D, THR260A, THR260D, THR277A, THR277D, THR281A, THR281D, THR285A, THR285D, THR307A, THR307D, THR330A, THR330D, THR331A, THR331D, THR381A, THR381D, THR395A, THR395D, THR457A, THR457D, THR56A, TYR110A, TYR251A, TYR251D, TYR257A, TYR257D, TYR465D, VAL240A, VAL240D, VAL252A, VAL252D, VAL255A, VAL255D, VAL279A, VAL279D, VAL306D, VAL322A, VAL322D, VAL387A, VAL387D, VAL392A, VAL392D, VAL394A, VAL394D, VAL396A, VAL396D, VAL407A, VAL407D, VAL456D
• B-C: ALA239B, ALA239C, ALA258B, ALA258C, ALA264B, ALA264C, ALA265B, ALA265C, ALA278B, ALA278C, ALA290B, ALA290C, ALA308B, ALA308C, ALA314B, ALA314C, ALA316B, ALA316C, ALA317B, ALA317C, ALA320B, ALA320C, ALA327B, ALA327C, ALA332B, ALA332C, ALA384B, ALA384C, ALA385B, ALA385C, ALA458B, ARG233B, ARG233C, ARG261B, ARG261C, ARG268B, ARG268C, ARG286B, ARG286C, ARG343B, ARG343C, ASN188B, ASN188C, ASN284B, ASN284C, ASN310B, ASN310C, ASN329B, ASN329C, ASN340B, ASN340C, ASN400B, ASN400C, ASN406B, ASN406C, ASN460B, ASP238B, ASP238C, ASP319B, ASP319C, ASP341B, ASP341C, ASP505B, ASP505C, CYS333B, CYS333C, GLN148B, GLN148C, GLN237B, GLN237C, GLN246B, GLN246C, GLN253B, GLN253C, GLN254B, GLN254C, GLU247B, GLU247C, GLU271B, GLU271C, GLU291B, GLU291C, GLU313B, GLU313C, GLU323B, GLU323C, GLU355B, GLU355C, GLU404B, GLU404C, GLY144B, GLY144C, GLY146B, GLY146C, GLY232B, GLY232C, GLY245B, GLY245C, GLY250B, GLY250C, GLY275B, GLY275C, GLY276B, GLY276C, GLY280B, GLY280C, GLY282B, GLY282C, GLY288B, GLY288C, GLY326B, GLY326C, GLY346B, GLY346C, GLY389B, GLY389C, GLY397B, GLY397C, GLY398B, GLY398C, GLY401B, GLY401C, GLY508B, GLY508C, HIS196B, HIS196C, HIS235B, HIS235C, HIS318B, HIS318C, HIS391B, HIS391C, HIS402B, HIS402C, ILE229B, ILE229C, ILE231B, ILE231C, ILE262B, ILE262C, ILE269B, ILE269C, ILE287B, ILE287C, ILE338B, ILE338C, ILE342B, ILE342C, LEU242B, LEU242C, LEU244B, LEU244C, LEU283B, LEU283C, LEU315B, LEU315C, LEU321B, LEU321C, LEU324B, LEU324C, LEU335B, LEU335C, LEU345B, LEU345C, LEU353B, LEU353C, LEU356B, LEU356C, LEU405B, LEU405C, LEU455B, LEU507B, LEU507C, LYS230B, LYS230C, LYS256B, LYS256C, LYS263B, LYS311B, LYS311C, LYS337B, LYS337C, LYS409B, LYS409C, LYS502C, LYS510B, LYS510C, MET328B, MET328C, MET336B, MET336C, MET388B, MET388C, MET412B, MET412C, MET454B, MET454C, MET506B, MET506C, PHE248B, PHE248C, PHE289B, PHE289C, PHE312B, PHE312C, PHE344B, PHE344C, PHE403B, PHE403C, PRO241B, PRO241C, PRO267B, PRO267C, PRO309B, PRO309C, PRO503B, PRO503C, PRO509B, PRO509C, SER145B, SER145C, SER186B, SER186C, SER187B, SER187C, SER222B, SER222C, SER249B, SER249C, SER325B, SER325C, SER334B, SER334C, SER347B, SER347C, SER399B, SER399C, THR143B, THR143C, THR147B, THR147C, THR234B, THR234C, THR236B, THR236C, THR243B, THR243C, THR260B, THR260C, THR277B, THR277C, THR281B, THR281C, THR285B, THR285C, THR307B, THR307C, THR330B, THR330C, THR331B, THR331C, THR381B, THR381C, THR395B, THR395C, THR457B, TYR110B, TYR110C, TYR251B, TYR251C, TYR257B, TYR257C, VAL240B, VAL240C, VAL252B, VAL252C, VAL255B, VAL255C, VAL279B, VAL279C, VAL306B, VAL306C, VAL322B, VAL322C, VAL387B, VAL387C, VAL392B, VAL392C, VAL394B, VAL394C, VAL396B, VAL396C, VAL407B, VAL407C
• B-D: ALA239B, ALA239D, ALA458D, ALA468D, ALA469B, ALA469D, ALA472B, ALA472D, ALA475B, ALA475D, ARG233B, ARG233D, ARG343B, ARG343D, ARG350B, ARG350D, ARG444B, ARG444D, ASN340B, ASN340D, ASN373B, ASN373D, ASN400B, ASN400D, ASN441B, ASN441D, ASN446D, ASN450B, ASN450D, ASN460B, ASN460D, ASN478B, ASN478D, ASP238B, ASP238D, ASP341B, ASP341D, ASP466D, CYS377B, CYS377D, GLN237B, GLN237D, GLU355B, GLU355D, GLU360B, GLU362D, GLU378B, GLU378D, GLU443D, GLU451B, GLU451D, GLU484B, GLU484D, GLY232B, GLY232D, GLY346B, GLY346D, GLY348B, GLY348D, GLY352B, GLY352D, GLY354B, GLY354D, GLY364B, GLY370B, GLY370D, GLY389B, GLY389D, GLY464D, GLY479B, GLY479D, HIS235B, HIS235D, HIS391B, HIS391D, HIS402B, HIS402D, HIS476B, HIS476D, ILE231B, ILE231D, ILE342B, ILE342D, ILE357B, ILE357D, ILE367B, ILE445B, ILE445D, ILE463D, ILE471B, ILE471D, LEU345B, LEU345D, LEU353B, LEU353D, LEU356D, LEU358B, LEU358D, LEU448B, LEU448D, LEU453B, LEU453D, LEU455B, LEU455D, LEU459D, LEU482B, LEU482D, LYS230B, LYS371B, LYS371D, LYS447B, LYS447D, LYS467D, LYS470D, LYS473B, LYS473D, LYS477B, LYS477D, LYS483B, LYS483D, MET368B, MET368D, MET388B, MET388D, MET449B, MET449D, MET454B, MET454D, MET506D, PHE344B, PHE344D, PRO241B, PRO241D, PRO349B, PRO349D, PRO363B, PRO369B, PRO369D, PRO374B, PRO374D, PRO461D, SER347B, SER347D, SER351B, SER351D, SER365B, SER366B, SER399B, SER399D, SER452B, SER452D, SER480B, SER480D, THR234B, THR234D, THR236B, THR236D, THR375B, THR375D, THR395B, THR395D, THR457B, THR457D, THR474B, THR474D, THR481B, THR481D, THR485B, THR485D, TYR465D, VAL240B, VAL240D, VAL372B, VAL372D, VAL392B, VAL392D, VAL396B, VAL396D, VAL456B, VAL456D
• C-D: ALA278C, ALA278D, ALA332C, ALA332D, ALA379C, ALA379D, ALA384C, ALA384D, ALA385C, ALA385D, ALA393C, ALA393D, ALA426C, ALA426D, ARG343C, ARG343D, ARG421C, ARG421D, ARG74C, ARG74D, ARG87C, ARG87D, ASN178D, ASN188C, ASN188D, ASN284C, ASN284D, ASN329C, ASN329D, ASN340C, ASN340D, ASN361C, ASN361D, ASN373C, ASN373D, ASN390C, ASN390D, ASN400C, ASN400D, ASN406C, ASN406D, ASN415C, ASN415D, ASN433C, ASN433D, ASN78C, ASN78D, ASP425C, ASP425D, ASP55C, ASP55D, CYS333C, CYS333D, CYS377C, CYS377D, GLN142C, GLN142D, GLN148C, GLN148D, GLN376C, GLN376D, GLN386C, GLN386D, GLN71C, GLN71D, GLU202C, GLU360C, GLU360D, GLU362C, GLU362D, GLU378C, GLU378D, GLU432C, GLU432D, GLU86C, GLU86D, GLY144C, GLY144D, GLY146C, GLY146D, GLY352C, GLY352D, GLY364C, GLY364D, GLY389C, GLY389D, GLY397C, GLY397D, GLY398C, GLY398D, GLY401C, GLY401D, GLY424C, GLY424D, GLY82C, GLY82D, GLY83C, GLY83D, HIS391C, HIS391D, HIS402C, HIS402D, HIS418C, HIS418D, ILE367C, ILE81C, ILE81D, LEU283C, LEU283D, LEU353C, LEU405C, LEU405D, LEU417C, LEU417D, LEU422C, LEU422D, LEU423C, LEU423D, LYS371C, LYS371D, LYS409C, LYS409D, LYS414C, LYS414D, LYS80C, LYS80D, MET151C, MET151D, MET336C, MET336D, MET368C, MET368D, MET380C, MET380D, MET382C, MET382D, MET388C, MET388D, MET411C, MET411D, MET412C, MET412D, MET77C, MET77D, MET88C, MET88D, PHE344C, PHE344D, PHE403C, PHE403D, PHE408C, PHE408D, PHE430C, PHE430D, PHE57C, PHE57D, PHE79C, PHE79D, PRO359C, PRO359D, PRO363C, PRO363D, PRO374C, PRO374D, PRO410C, PRO410D, PRO89C, PRO89D, PRO91C, PRO91D, SER145C, SER145D, SER186C, SER186D, SER187C, SER187D, SER347C, SER347D, SER366C, SER399C, SER399D, SER427C, SER427D, SER429C, SER429D, SER75C, SER75D, THR143C, THR143D, THR147C, THR147D, THR236C, THR236D, THR277D, THR375C, THR375D, THR381C, THR381D, THR395C, THR395D, THR56C, THR56D, THR85C, THR85D, THR90C, THR90D, TRP141C, TRP141D, VAL139C, VAL139D, VAL140C, VAL140D, VAL206C, VAL206D, VAL279C, VAL279D, VAL372C, VAL372D, VAL383C, VAL383D, VAL387C, VAL387D, VAL392C, VAL392D, VAL394C, VAL394D, VAL396C, VAL396D, VAL407C, VAL407D, VAL428C, VAL428D, VAL84C, VAL84D