2EBA

crystal structure of the putative glutaryl-coa dehydrogenase from thermus thermophilus

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 175
  • Norm. En. per Res.: -4.4418
• Hub Node: A(4)

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-C	-98.2169	-40.0643	-575.841	-714.1223	175	36	21	25087	12	56	39
A-D	-94.583	-90.2253	-415.407	-600.2153	174	46	3	18675	5	69	73
A-E	0.0	0.0	-56.0045	-56.0045	21	17	2	1854	0	4	5
A-G	0.0	2.5681	-2.3968	0.1713	12	0	0	291	0	8	8
C-D	0.0	0.0	-54.6524	-54.6524	23	13	2	1886	0	4	5
C-E	-123.0818	-138.4688	-421.856	-683.4066	181	67	4	20233	10	69	76
D-E	-79.7761	-14.5972	-563.186	-657.5593	172	35	23	25020	10	56	38
F-G	-66.8106	-60.6149	-372.191	-499.6166	168	46	2	18389	4	67	70
F-H	0.0	0.0	-40.9269	-40.9269	23	12	2	1743	0	4	4
F-I	-108.2496	-60.1553	-550.671	-719.0759	179	53	19	25595	12	56	39
G-H	-90.0806	-47.9718	-639.258	-777.3103	175	50	23	26695	11	57	39
G-I	0.0	0.0	-48.7552	-48.7552	24	20	2	1930	0	4	5
H-I	-105.5543	-110.5908	-439.854	-655.9991	175	66	3	19585	7	70	74

Interface residues

• A-C: ALA249A, ALA249C, ALA263A, ALA263C, ALA265A, ALA265C, ALA267A, ALA267C, ALA278A, ALA278C, ALA285A, ALA285C, ALA288A, ALA288C, ALA292A, ALA292C, ALA301A, ALA301C, ALA305A, ALA305C, ALA316A, ALA316C, ALA321A, ALA321C, ALA384A, ALA384C, ALA6A, ALA6C, ARG270A, ARG303A, ARG303C, ARG306A, ARG306C, ARG323A, ARG323C, ARG377A, ARG377C, ASN325A, ASN325C, ASN383A, ASN383C, ASP369A, ASP369C, ASP3A, ASP3C, ASP9A, ASP9C, GLN281A, GLN281C, GLN284A, GLN284C, GLN317A, GLN317C, GLN324A, GLN324C, GLU261A, GLU261C, GLU275A, GLU275C, GLU289A, GLU289C, GLU296A, GLU296C, GLU310A, GLU310C, GLU378A, GLU378C, GLU8A, GLU8C, GLY297A, GLY297C, GLY376A, GLY376C, GLY381A, GLY381C, HIS294A, HIS294C, HIS368A, HIS368C, HIS371A, HIS371C, ILE379A, ILE379C, LEU10A, LEU10C, LEU11A, LEU11C, LEU277A, LEU277C, LEU282A, LEU282C, LEU287A, LEU287C, LEU291A, LEU291C, LEU298A, LEU298C, LEU299A, LEU299C, LEU2A, LEU2C, LEU300A, LEU300C, LEU304A, LEU304C, LEU307A, LEU307C, LEU313A, LEU313C, LEU320A, LEU320C, LEU373A, LEU373C, LEU375A, LEU375C, LEU382A, LEU382C, LEU7A, LEU7C, LYS268A, LYS268C, LYS279A, LYS279C, LYS280A, LYS280C, LYS286A, LYS286C, LYS312A, LYS312C, LYS322A, LYS322C, LYS328A, LYS328C, MET290A, MET290C, PHE385A, PHE385C, PHE4A, PHE4C, PRO276A, PRO276C, PRO315A, PRO315C, SER269C, SER271C, SER319A, SER319C, THR295A, THR295C, THR314A, THR314C, THR372A, THR372C, THR380A, THR380C, TRP293A, TRP293C, TRP302A, TRP302C, TRP327A, TRP327C, TYR260A, TYR260C, TYR5A, TYR5C, VAL264A, VAL264C, VAL283A, VAL283C, VAL318A, VAL318C, VAL370A, VAL370C, VAL374A, VAL374C
• A-D: ALA333A, ALA333D, ALA336A, ALA336D, ALA384A, ALA384D, ARG203A, ARG203D, ARG208A, ARG208D, ARG270A, ARG270D, ARG323A, ARG323D, ARG334A, ARG334D, ARG337A, ARG337D, ARG353A, ARG353D, ARG35A, ARG35D, ARG377A, ARG377D, ASN143A, ASN143D, ASN357A, ASN357D, ASN383A, ASN383D, ASP135A, ASP135D, ASP139A, ASP139D, ASP338A, ASP338D, ASP369A, ASP369D, ASP36A, ASP36D, GLN281A, GLN281D, GLN331A, GLN331D, GLU133A, GLU133D, GLU275A, GLU275D, GLU348A, GLU348D, GLU359A, GLU359D, GLU39A, GLU39D, GLU40D, GLY136A, GLY136D, GLY137A, GLY137D, GLY142A, GLY142D, GLY274A, GLY274D, GLY341A, GLY341D, GLY342A, GLY342D, GLY344A, GLY344D, HIS350D, HIS368A, HIS368D, ILE339A, ILE339D, ILE345A, ILE345D, ILE352A, ILE352D, LEU207A, LEU207D, LEU234A, LEU234D, LEU238D, LEU277A, LEU277D, LEU282A, LEU282D, LEU330A, LEU330D, LEU340A, LEU340D, LEU347A, LEU347D, LEU356A, LEU356D, LEU358A, LEU358D, LEU373A, LEU373D, LYS202A, LYS202D, LYS204A, LYS204D, LYS280A, LYS280D, LYS286A, LYS286D, MET162A, MET162D, MET205A, MET205D, MET335A, MET335D, MET355A, MET355D, PHE266A, PHE266D, PHE273A, PHE273D, PHE385A, PHE385D, PRO134A, PRO134D, PRO140A, PRO140D, SER138A, SER138D, SER206A, SER206D, SER269A, SER269D, SER271A, SER271D, SER343A, SER343D, THR132A, THR132D, THR212A, THR212D, THR272A, THR272D, THR346A, THR346D, THR360A, THR360D, THR363A, THR363D, THR367A, THR367D, THR372A, THR372D, TRP163A, TRP163D, TRP327A, TRP327D, TRP38A, TRP38D, TYR141A, TYR141D, TYR349A, TYR349D, TYR362A, TYR362D, TYR364A, TYR364D, VAL201A, VAL201D, VAL283A, VAL283D, VAL326A, VAL361A, VAL361D, VAL370A, VAL370D
• A-E: ALA285A, ALA285E, GLN281A, GLN281E, GLN284A, GLN284E, GLU275A, GLU275E, LEU277A, LEU277E, LEU282A, LEU282E, LYS279A, LYS279E, LYS280A, LYS280E, LYS286A, LYS286E, PHE273E, VAL283A, VAL283E
• A-G: ALA106A, ARG114G, GLU110A, GLU110G, GLU111G, GLU64G, LEU232A, LYS113A, LYS230A, LYS235A, PRO229A, TYR107A
• C-D: ALA285C, ALA285D, GLN281C, GLN281D, GLN284C, GLN284D, GLU275C, GLU275D, LEU277C, LEU277D, LEU282C, LEU282D, LYS279C, LYS279D, LYS280C, LYS280D, LYS286C, LYS286D, PHE273C, PHE273D, THR272D, VAL283C, VAL283D
• C-E: ALA333C, ALA333E, ALA336C, ALA336E, ALA384C, ALA384E, ARG203C, ARG203E, ARG208C, ARG208E, ARG270C, ARG270E, ARG323C, ARG323E, ARG334C, ARG334E, ARG337C, ARG337E, ARG353C, ARG353E, ARG35C, ARG35E, ARG377C, ARG377E, ASN143C, ASN143E, ASN357C, ASN357E, ASN383C, ASN383E, ASP135C, ASP135E, ASP139C, ASP139E, ASP338C, ASP338E, ASP369C, ASP369E, ASP36C, ASP36E, GLN281C, GLN281E, GLN331C, GLN331E, GLU133C, GLU133E, GLU275C, GLU275E, GLU348C, GLU348E, GLU359C, GLU359E, GLU39C, GLU39E, GLU40C, GLU40E, GLY136C, GLY136E, GLY137C, GLY137E, GLY142C, GLY142E, GLY274C, GLY274E, GLY341C, GLY341E, GLY342C, GLY342E, GLY344C, GLY344E, GLY41E, HIS33C, HIS350C, HIS368C, HIS368E, ILE339C, ILE339E, ILE345C, ILE345E, ILE34C, ILE352C, ILE352E, LEU207C, LEU207E, LEU234C, LEU234E, LEU277C, LEU277E, LEU282C, LEU282E, LEU330C, LEU330E, LEU340C, LEU340E, LEU347C, LEU347E, LEU356C, LEU356E, LEU358C, LEU358E, LEU373C, LEU373E, LYS202C, LYS202E, LYS204C, LYS204E, LYS280C, LYS280E, LYS286C, LYS286E, MET162C, MET162E, MET205C, MET205E, MET335C, MET335E, MET355C, MET355E, PHE266C, PHE266E, PHE273C, PHE273E, PHE385C, PHE385E, PRO134C, PRO134E, PRO140C, PRO140E, PRO32C, SER138C, SER138E, SER206C, SER206E, SER269C, SER269E, SER271C, SER271E, SER343C, SER343E, THR132C, THR132E, THR212C, THR212E, THR272C, THR272E, THR346C, THR346E, THR360C, THR360E, THR363C, THR363E, THR367C, THR367E, THR372C, THR372E, TRP163C, TRP163E, TRP327C, TRP327E, TRP37C, TRP37E, TRP38C, TRP38E, TYR141C, TYR141E, TYR349C, TYR349E, TYR362C, TYR362E, TYR364C, TYR364E, VAL201C, VAL201E, VAL283C, VAL283E, VAL326C, VAL326E, VAL361C, VAL361E, VAL370C, VAL370E
• D-E: ALA249D, ALA249E, ALA263D, ALA263E, ALA265D, ALA265E, ALA267D, ALA267E, ALA278D, ALA278E, ALA285D, ALA285E, ALA288D, ALA288E, ALA292D, ALA292E, ALA301D, ALA301E, ALA305D, ALA305E, ALA316D, ALA316E, ALA321D, ALA321E, ALA384D, ALA384E, ALA6D, ALA6E, ARG270D, ARG303D, ARG303E, ARG306D, ARG306E, ARG323D, ARG323E, ARG377D, ARG377E, ASN325D, ASN325E, ASN383D, ASN383E, ASP369D, ASP369E, ASP3D, ASP3E, ASP9D, ASP9E, GLN281D, GLN281E, GLN284D, GLN284E, GLN317D, GLN317E, GLN324D, GLN324E, GLU261D, GLU261E, GLU275D, GLU275E, GLU289D, GLU289E, GLU296D, GLU296E, GLU310D, GLU310E, GLU378D, GLU378E, GLU8D, GLU8E, GLY297D, GLY297E, GLY376D, GLY376E, GLY381D, GLY381E, HIS294D, HIS294E, HIS368D, HIS368E, HIS371D, HIS371E, ILE379D, ILE379E, LEU10D, LEU10E, LEU11D, LEU11E, LEU277D, LEU277E, LEU282D, LEU282E, LEU287D, LEU287E, LEU291D, LEU291E, LEU298D, LEU298E, LEU299D, LEU299E, LEU2D, LEU2E, LEU300D, LEU300E, LEU304D, LEU304E, LEU307D, LEU307E, LEU313D, LEU313E, LEU320D, LEU320E, LEU373D, LEU373E, LEU375D, LEU375E, LEU382D, LEU382E, LEU7D, LEU7E, LYS268D, LYS268E, LYS279D, LYS279E, LYS280D, LYS280E, LYS286D, LYS286E, LYS312D, LYS312E, LYS322D, LYS322E, LYS328D, LYS328E, MET290D, MET290E, PHE385D, PHE385E, PHE4D, PHE4E, PRO276D, PRO276E, PRO315D, PRO315E, SER269E, SER319D, SER319E, THR295D, THR295E, THR314D, THR314E, THR372D, THR372E, THR380D, THR380E, TRP293D, TRP293E, TRP302D, TRP302E, TRP327D, TRP327E, TYR260D, TYR260E, TYR5D, TYR5E, VAL264D, VAL264E, VAL283D, VAL283E, VAL318D, VAL318E, VAL374D, VAL374E
• F-G: ALA333F, ALA333G, ALA384F, ALA384G, ARG203F, ARG203G, ARG208F, ARG208G, ARG270F, ARG270G, ARG323F, ARG323G, ARG334F, ARG334G, ARG337F, ARG337G, ARG353F, ARG353G, ARG35F, ARG35G, ARG377F, ARG377G, ASN143F, ASN143G, ASN357F, ASN357G, ASN383F, ASN383G, ASP135F, ASP135G, ASP139F, ASP139G, ASP338F, ASP338G, ASP369F, ASP369G, ASP36F, ASP36G, GLN281F, GLN281G, GLN331F, GLN331G, GLU133F, GLU133G, GLU275F, GLU275G, GLU348F, GLU348G, GLU359F, GLU359G, GLU39F, GLU39G, GLY136F, GLY136G, GLY137F, GLY137G, GLY142F, GLY142G, GLY274F, GLY274G, GLY341F, GLY341G, GLY342F, GLY342G, GLY344F, GLY344G, HIS368F, HIS368G, ILE339F, ILE339G, ILE345F, ILE345G, ILE352F, ILE352G, LEU207F, LEU207G, LEU234F, LEU234G, LEU238G, LEU277F, LEU277G, LEU282F, LEU282G, LEU330F, LEU330G, LEU340F, LEU340G, LEU347F, LEU347G, LEU356F, LEU356G, LEU358F, LEU358G, LEU373F, LEU373G, LYS202F, LYS202G, LYS204F, LYS204G, LYS280F, LYS280G, LYS286F, LYS286G, MET162F, MET162G, MET205F, MET205G, MET335F, MET335G, MET355F, MET355G, PHE266F, PHE266G, PHE273F, PHE273G, PHE385F, PHE385G, PRO134F, PRO134G, PRO140F, PRO140G, SER138F, SER138G, SER206F, SER206G, SER269G, SER271F, SER271G, SER343F, SER343G, THR132F, THR132G, THR212F, THR212G, THR272F, THR272G, THR346F, THR346G, THR360F, THR360G, THR363F, THR363G, THR367F, THR367G, THR372F, THR372G, TRP163F, TRP163G, TRP327F, TRP327G, TRP38F, TRP38G, TYR141F, TYR141G, TYR349F, TYR349G, TYR362F, TYR362G, TYR364F, TYR364G, VAL201F, VAL201G, VAL283F, VAL283G, VAL361F, VAL361G, VAL370F, VAL370G
• F-H: ALA285F, ALA285H, GLN281F, GLN281H, GLN284F, GLN284H, GLU275F, GLU275H, LEU277F, LEU277H, LEU282F, LEU282H, LYS279F, LYS279H, LYS280F, LYS280H, LYS286F, LYS286H, PHE273F, PHE273H, THR272H, VAL283F, VAL283H
• F-I: ALA249F, ALA249I, ALA263F, ALA263I, ALA265F, ALA265I, ALA267F, ALA267I, ALA278F, ALA278I, ALA285F, ALA285I, ALA288F, ALA288I, ALA292F, ALA292I, ALA301F, ALA301I, ALA305F, ALA305I, ALA316F, ALA316I, ALA321F, ALA321I, ALA384F, ALA384I, ALA6F, ALA6I, ARG270F, ARG270I, ARG303F, ARG303I, ARG306F, ARG306I, ARG323F, ARG323I, ARG377F, ARG377I, ASN325F, ASN325I, ASN383F, ASN383I, ASP369F, ASP369I, ASP3F, ASP3I, ASP9F, ASP9I, GLN281F, GLN281I, GLN284F, GLN284I, GLN317F, GLN317I, GLN324F, GLN324I, GLN331F, GLU261F, GLU261I, GLU275F, GLU275I, GLU289F, GLU289I, GLU296F, GLU296I, GLU310F, GLU310I, GLU378F, GLU378I, GLU8F, GLU8I, GLY297F, GLY297I, GLY376F, GLY376I, GLY381F, GLY381I, HIS294F, HIS294I, HIS368F, HIS368I, HIS371F, HIS371I, ILE379F, ILE379I, LEU10F, LEU10I, LEU11F, LEU11I, LEU277F, LEU277I, LEU282F, LEU282I, LEU287F, LEU287I, LEU291F, LEU291I, LEU298F, LEU298I, LEU299F, LEU299I, LEU2F, LEU2I, LEU300F, LEU300I, LEU304F, LEU304I, LEU307F, LEU307I, LEU313F, LEU313I, LEU320F, LEU320I, LEU373F, LEU373I, LEU375F, LEU375I, LEU382F, LEU382I, LEU7F, LEU7I, LYS268F, LYS268I, LYS279F, LYS279I, LYS280F, LYS280I, LYS286F, LYS286I, LYS312F, LYS312I, LYS322F, LYS322I, LYS328F, LYS328I, MET290F, MET290I, PHE385F, PHE385I, PHE4F, PHE4I, PRO276F, PRO276I, PRO315F, PRO315I, SER269F, SER269I, SER271F, SER271I, SER319F, SER319I, THR295F, THR295I, THR314F, THR314I, THR372F, THR372I, THR380F, THR380I, TRP293F, TRP293I, TRP302F, TRP302I, TRP327F, TRP327I, TYR260F, TYR260I, TYR5F, TYR5I, VAL264F, VAL264I, VAL283F, VAL283I, VAL318F, VAL318I, VAL370F, VAL370I, VAL374F, VAL374I
• G-H: ALA249G, ALA249H, ALA263G, ALA263H, ALA265G, ALA265H, ALA267G, ALA267H, ALA278G, ALA278H, ALA285G, ALA285H, ALA288G, ALA288H, ALA292G, ALA292H, ALA301G, ALA301H, ALA305G, ALA305H, ALA316G, ALA316H, ALA321G, ALA321H, ALA384G, ALA384H, ALA6G, ALA6H, ARG270G, ARG270H, ARG303G, ARG303H, ARG306G, ARG306H, ARG323G, ARG323H, ARG377G, ARG377H, ASN325G, ASN325H, ASN383G, ASN383H, ASP369G, ASP369H, ASP3G, ASP3H, ASP9G, ASP9H, GLN281G, GLN281H, GLN284G, GLN284H, GLN317G, GLN317H, GLN324G, GLN324H, GLU261G, GLU261H, GLU275G, GLU275H, GLU289G, GLU289H, GLU296G, GLU296H, GLU310G, GLU310H, GLU378G, GLU378H, GLU8G, GLU8H, GLY297G, GLY297H, GLY376G, GLY376H, GLY381G, GLY381H, HIS294G, HIS294H, HIS368G, HIS368H, HIS371G, HIS371H, ILE379G, ILE379H, LEU10G, LEU10H, LEU11G, LEU11H, LEU277G, LEU277H, LEU282G, LEU282H, LEU287G, LEU287H, LEU291G, LEU291H, LEU298G, LEU298H, LEU299G, LEU299H, LEU2G, LEU2H, LEU300G, LEU300H, LEU304G, LEU304H, LEU307G, LEU307H, LEU313G, LEU313H, LEU320G, LEU320H, LEU373G, LEU373H, LEU375G, LEU375H, LEU382G, LEU382H, LEU7G, LEU7H, LYS268G, LYS268H, LYS279G, LYS279H, LYS280G, LYS280H, LYS286G, LYS286H, LYS312G, LYS312H, LYS322G, LYS322H, LYS328G, LYS328H, MET290G, MET290H, PHE385G, PHE385H, PHE4G, PHE4H, PRO276G, PRO276H, PRO315G, PRO315H, SER269G, SER271G, SER271H, SER319G, SER319H, THR295G, THR295H, THR314G, THR314H, THR372G, THR372H, THR380G, THR380H, TRP293G, TRP293H, TRP302G, TRP302H, TRP327G, TRP327H, TYR260G, TYR260H, TYR5G, TYR5H, VAL264G, VAL264H, VAL283G, VAL283H, VAL318G, VAL318H, VAL374G, VAL374H
• G-I: ALA285G, ALA285I, ALA288G, GLN281G, GLN281I, GLN284G, GLN284I, GLU275G, GLU275I, LEU277G, LEU277I, LEU282G, LEU282I, LYS279G, LYS279I, LYS280G, LYS280I, LYS286G, LYS286I, PHE273G, PHE273I, THR272I, VAL283G, VAL283I
• H-I: ALA333H, ALA333I, ALA336H, ALA336I, ALA384H, ALA384I, ARG203H, ARG203I, ARG208H, ARG208I, ARG270H, ARG270I, ARG323H, ARG334H, ARG334I, ARG337H, ARG337I, ARG353H, ARG353I, ARG35H, ARG35I, ARG377H, ARG377I, ASN143H, ASN143I, ASN357H, ASN357I, ASN383H, ASN383I, ASP135H, ASP135I, ASP139H, ASP139I, ASP338H, ASP338I, ASP369H, ASP369I, ASP36H, ASP36I, GLN281H, GLN281I, GLN331H, GLN331I, GLU133H, GLU133I, GLU275H, GLU275I, GLU348H, GLU348I, GLU359H, GLU359I, GLU39H, GLU39I, GLU40I, GLY136H, GLY136I, GLY137H, GLY137I, GLY142H, GLY142I, GLY274H, GLY274I, GLY341H, GLY341I, GLY342H, GLY342I, GLY344H, GLY344I, GLY41I, HIS350H, HIS368H, HIS368I, ILE339H, ILE339I, ILE345H, ILE345I, ILE352H, ILE352I, LEU207H, LEU207I, LEU234H, LEU234I, LEU238I, LEU277H, LEU277I, LEU282H, LEU282I, LEU330H, LEU330I, LEU340H, LEU340I, LEU347H, LEU347I, LEU356H, LEU356I, LEU358H, LEU358I, LEU373H, LEU373I, LYS202H, LYS202I, LYS204H, LYS204I, LYS280H, LYS280I, LYS286H, LYS286I, MET162H, MET162I, MET205H, MET205I, MET335H, MET335I, MET355H, MET355I, PHE266H, PHE266I, PHE273H, PHE273I, PHE385H, PHE385I, PRO134H, PRO134I, PRO140H, PRO140I, SER138H, SER138I, SER206H, SER206I, SER269H, SER269I, SER271H, SER271I, SER343H, SER343I, THR132H, THR132I, THR212H, THR212I, THR272H, THR272I, THR346H, THR346I, THR360H, THR360I, THR363H, THR363I, THR367H, THR367I, THR372H, THR372I, TRP163H, TRP163I, TRP327H, TRP327I, TRP37I, TRP38H, TRP38I, TYR141H, TYR141I, TYR349H, TYR349I, TYR362H, TYR362I, TYR364H, TYR364I, VAL201H, VAL201I, VAL283H, VAL283I, VAL326H, VAL361H, VAL361I, VAL370H, VAL370I