1XLT

crystal structure of transhydrogenase [(domain i)2:domain iii] heterotrimer complex

• Total interactions analyzed: 36
• Total true interactions: 16
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 176
  • Norm. En. per Res.: -3.096
• Hub Node: C(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	-79.0719	-41.1426	-410.53	-530.7445	177	35	21	18022	2	26	23
A-C	-11.8866	-2.5298	-98.2353	-112.6517	53	8	2	4115	0	6	1
B-C	0.0	-20.7938	-137.871	-158.6648	88	12	1	6686	1	16	15
B-H	0.0	0.0	-0.0039	-0.0039	2	0	0	7	0	2	2
C-G	-22.6273	4.1983	-50.0584	-68.4874	46	2	0	2628	0	16	17
C-H	-15.7164	-4.4851	-103.354	-123.5554	79	15	1	5370	1	16	20
C-I	0.0	-0.3128	-20.7303	-21.0431	20	1	0	1006	0	16	12
D-E	-72.0198	-42.8063	-430.069	-544.8951	176	50	22	18336	2	27	22
D-F	-15.3578	-2.4736	-111.849	-129.6804	56	11	2	4375	0	5	0
D-I	-15.1766	9.6145	-49.2702	-54.8323	44	5	0	2467	0	18	19
E-F	-10.427	-13.9844	-159.651	-184.0624	85	13	2	7290	0	16	15
E-I	-6.649	4.1627	-91.92	-94.4062	68	10	1	4547	0	11	14
F-I	-5.7907	2.9402	-9.401	-12.2515	17	1	0	573	1	11	9
G-H	-47.8003	-36.0004	-411.402	-495.2028	176	47	23	17604	2	26	22
G-I	-10.2784	-1.3486	-105.887	-117.5141	57	11	2	4363	0	5	0
H-I	-5.7229	-21.7064	-141.758	-169.1873	93	21	2	7534	1	19	16

Interface residues

• A-B: ALA131A, ALA131B, ALA144A, ALA153A, ALA153B, ALA157A, ALA157B, ALA159A, ALA159B, ALA166A, ALA166B, ALA167A, ALA167B, ALA173A, ALA173B, ALA189A, ALA189B, ALA191A, ALA191B, ALA196A, ALA196B, ALA328A, ALA328B, ALA329A, ALA329B, ALA331A, ALA331B, ALA336A, ALA336B, ALA43A, ALA43B, ALA49B, ARG130A, ARG130B, ARG147A, ARG147B, ARG158A, ARG158B, ARG15A, ARG193A, ARG193B, ARG326A, ARG326B, ASN142A, ASN142B, ASN338A, ASN338B, ASN341A, ASN341B, ASP135A, ASP135B, ASP14A, ASP14B, ASP151A, ASP151B, ASP330A, ASP330B, ASP48B, GLN132A, GLN132B, GLN140A, GLN140B, GLN186A, GLN186B, GLU155A, GLU155B, GLU21B, GLY145A, GLY152A, GLY152B, GLY168A, GLY168B, GLY195A, GLY195B, GLY287A, GLY287B, GLY314A, GLY42A, GLY42B, HIS320A, HIS320B, ILE136A, ILE136B, ILE150A, ILE150B, ILE291A, ILE291B, ILE309A, ILE309B, ILE45A, ILE45B, LEU143A, LEU143B, LEU194A, LEU194B, LEU334A, LEU334B, LEU339A, LEU339B, LYS192A, LYS192B, LYS285A, LYS285B, LYS308B, LYS316A, LYS316B, LYS337A, LYS337B, MET134A, MET134B, MET162A, MET162B, MET163A, MET163B, MET164A, MET164B, PHE156A, PHE156B, PHE160A, PHE160B, PHE335A, PHE335B, PRO161A, PRO161B, PRO171A, PRO171B, PRO172A, PRO172B, PRO20B, PRO286A, PRO286B, PRO324A, PRO324B, PRO333A, PRO333B, SER129A, SER129B, SER133A, SER133B, SER138A, SER138B, SER139A, SER139B, SER19B, SER288A, SER288B, SER325A, SER325B, SER332A, SER332B, SER44A, SER44B, THR165A, THR165B, THR169A, THR169B, THR190A, THR190B, THR46A, THR46B, TYR146A, TYR146B, TYR154A, TYR154B, VAL149A, VAL149B, VAL170A, VAL170B, VAL182A, VAL182B, VAL22B, VAL318A, VAL318B, VAL327A, VAL327B, VAL41A, VAL41B
• A-C: ALA166A, ALA167A, ALA173A, ALA196A, ALA344C, ALA349C, ALA361C, ARG174A, ARG193A, ASN357C, ASN364C, ASP368C, GLU362C, GLU369C, GLU372C, GLU374C, GLY168A, GLY195A, GLY215A, GLY354C, HIS346C, HIS355C, ILE345C, LEU194A, LEU214A, LEU360C, LEU373C, LYS192A, MET162A, MET163A, MET164A, MET352C, MET356C, MET410C, PHE160A, PHE371C, PRO161A, PRO171A, PRO172A, PRO347C, PRO353C, PRO366C, PRO411C, THR165A, THR169A, TYR367C, VAL170A, VAL197A, VAL198A, VAL348C, VAL358C, VAL365C, VAL370C
• B-C: ALA131B, ALA183B, ALA187B, ALA189B, ALA191B, ALA206B, ALA319C, ALA321C, ALA349C, ALA361C, ALA399C, ALA433C, ARG127B, ARG130B, ARG193B, ARG204B, ARG351C, ARG426C, ASN142B, ASN341B, ASN357C, ASP393C, GLN132B, GLN140B, GLN186B, GLN210B, GLN322C, GLN324C, GLU209B, GLU212B, GLU21B, GLU362C, GLU372C, GLU374C, GLY181B, GLY184B, GLY215B, GLY216B, GLY317C, GLY350C, GLY354C, GLY409C, HIS325C, HIS346C, HIS355C, ILE128B, ILE188B, ILE407C, LEU143B, LEU185B, LEU214B, LEU334B, LEU359C, LEU360C, LYS192B, LYS208B, LYS25B, LYS337B, MET318C, MET352C, MET356C, MET410C, PRO347C, PRO353C, PRO403C, PRO406C, PRO411C, SER129B, SER133B, SER138B, SER139B, SER141B, SER213B, SER405C, THR190B, THR207B, TYR146B, TYR316C, TYR367C, TYR408C, TYR432C, VAL180B, VAL182B, VAL211B, VAL320C, VAL348C, VAL358C, VAL394C
• B-H: LYS246H, LYS349B
• C-G: ALA131G, ALA307C, ALA383C, ARG130G, ARG193G, ASN306C, ASN338G, ASN341G, ASN443C, ASP384C, GLN132G, GLU21G, GLU298C, GLU337C, GLU340C, GLY28G, GLY338C, ILE303C, LEU26G, LEU29G, LEU334C, LEU334G, LEU340G, LYS24G, LYS25G, LYS305C, LYS309C, LYS335C, LYS336C, LYS337G, LYS349G, MET134G, MET293C, MET304C, PHE302C, PRO20G, PRO345G, SER129G, SER133G, SER19G, SER308C, THR344G, THR382C, VAL22G, VAL310C, VAL339C
• C-H: ALA166H, ALA167H, ALA173H, ALA191H, ALA196H, ALA294C, ALA300C, ALA301C, ALA307C, ALA383C, ALA398C, ALA418C, ARG174H, ARG193H, ARG291C, ARG442C, ASN306C, ASN443C, ASN444C, ASP299C, ASP384C, ASP402C, GLN381C, GLU212H, GLU254H, GLU298C, GLU416C, GLU438C, GLY168H, GLY195H, GLY215H, GLY216H, GLY295C, GLY419C, ILE303C, LEU194H, LEU422C, LEU439C, LEU448C, LYS192H, LYS208H, LYS217H, LYS253H, LYS257H, LYS305C, LYS417C, MET162H, MET163H, MET164H, MET199H, MET293C, MET304C, MET446C, MET447C, PHE160H, PHE218H, PHE302C, PHE380C, PHE441C, PRO161H, PRO171H, PRO172H, PRO397C, PRO403C, SER296C, SER379C, THR165H, THR169H, THR220H, THR382C, THR401C, THR420C, THR445C, VAL170H, VAL197H, VAL198H, VAL256H, VAL385C, VAL421C
• C-I: ALA321I, ALA323I, ALA326I, ALA363I, ARG291C, ARG328I, ASN364I, GLN322I, GLN324I, GLU329I, GLU362I, GLU436C, GLU457I, HIS292C, HIS325I, LEU359I, LYS453I, LYS454I, MET428C, PHE441C
• D-E: ALA131D, ALA131E, ALA144D, ALA153D, ALA153E, ALA157D, ALA157E, ALA159D, ALA159E, ALA166D, ALA166E, ALA167D, ALA167E, ALA173D, ALA173E, ALA189D, ALA189E, ALA191D, ALA191E, ALA196D, ALA196E, ALA328D, ALA328E, ALA329D, ALA329E, ALA331D, ALA331E, ALA336D, ALA336E, ALA43D, ALA43E, ALA49E, ARG127E, ARG147D, ARG147E, ARG158D, ARG158E, ARG193D, ARG193E, ARG326D, ARG326E, ASN142D, ASN142E, ASN338D, ASN338E, ASN341D, ASN341E, ASP135D, ASP135E, ASP14D, ASP14E, ASP151D, ASP151E, ASP330D, ASP330E, GLN132D, GLN132E, GLN140D, GLN140E, GLN186D, GLN186E, GLU155D, GLU155E, GLU21E, GLY145E, GLY152D, GLY152E, GLY168D, GLY168E, GLY195D, GLY195E, GLY287D, GLY287E, GLY314D, GLY314E, GLY40E, GLY42D, GLY42E, HIS320D, HIS320E, ILE136D, ILE136E, ILE150D, ILE150E, ILE260D, ILE260E, ILE291E, ILE309D, ILE309E, ILE45D, ILE45E, LEU143D, LEU143E, LEU194D, LEU194E, LEU334D, LEU334E, LEU339E, LYS192D, LYS192E, LYS25D, LYS285D, LYS285E, LYS316D, LYS316E, LYS337D, LYS337E, MET134D, MET134E, MET162D, MET162E, MET163D, MET163E, MET164D, MET164E, PHE156D, PHE156E, PHE160D, PHE160E, PHE335D, PHE335E, PRO161D, PRO161E, PRO171D, PRO171E, PRO172D, PRO172E, PRO20E, PRO286D, PRO286E, PRO324D, PRO324E, PRO333D, PRO333E, SER129D, SER129E, SER133D, SER133E, SER138D, SER138E, SER139D, SER139E, SER141D, SER19E, SER288D, SER288E, SER325D, SER325E, SER332D, SER332E, SER44D, SER44E, THR165D, THR165E, THR169D, THR169E, THR190D, THR190E, THR46D, THR46E, TYR146D, TYR146E, TYR154D, TYR154E, VAL149D, VAL149E, VAL170D, VAL170E, VAL182D, VAL22E, VAL318D, VAL318E, VAL327D, VAL327E, VAL41D, VAL41E
• D-F: ALA166D, ALA167D, ALA173D, ALA196D, ALA344F, ALA349F, ALA361F, ARG174D, ARG193D, ASN357F, ASN364F, ASP368F, GLU362F, GLU372F, GLU374F, GLU375F, GLY168D, GLY195D, GLY215D, GLY354F, HIS346F, HIS355F, ILE345F, LEU194D, LEU214D, LEU360F, LEU373F, LYS192D, MET162D, MET163D, MET164D, MET352F, MET356F, MET410F, PHE160D, PHE371F, PRO161D, PRO171D, PRO172D, PRO314F, PRO347F, PRO353F, PRO366F, PRO411F, SER213D, THR165D, THR169D, TYR343F, TYR367F, VAL170D, VAL197D, VAL198D, VAL348F, VAL358F, VAL365F, VAL370F
• D-I: ALA131D, ALA307I, ARG130D, ARG193D, ASN306I, ASN338D, ASN341D, ASN443I, ASN464I, ASP384I, GLN132D, GLU21D, GLU298I, GLU337I, GLU340I, GLY28D, GLY338I, ILE303I, LEU29D, LEU334D, LEU334I, LEU340D, LYS24D, LYS25D, LYS305I, LYS309I, LYS335I, LYS336I, LYS337D, LYS349D, MET134D, MET293I, MET304I, PHE302I, PHE342D, PRO20D, PRO345D, SER129D, SER133D, SER308I, THR344D, VAL22D, VAL310I, VAL339I
• E-F: ALA131E, ALA183E, ALA187E, ALA189E, ALA206E, ALA319F, ALA321F, ALA361F, ALA399F, ALA433F, ARG127E, ARG130E, ARG193E, ARG204E, ARG351F, ARG426F, ASN142E, ASN341E, ASN357F, ASP135E, ASP393F, GLN132E, GLN140E, GLN186E, GLN210E, GLN322F, GLN324F, GLU209E, GLU212E, GLU21E, GLU362F, GLU372F, GLU374F, GLY181E, GLY184E, GLY215E, GLY216E, GLY317F, GLY350F, GLY354F, GLY409F, HIS346F, HIS355F, ILE128E, ILE188E, ILE407F, LEU143E, LEU185E, LEU214E, LEU334E, LEU359F, LEU360F, LYS192E, LYS208E, LYS25E, LYS337E, MET318F, MET352F, MET356F, MET410F, PRO347F, PRO353F, PRO403F, PRO406F, PRO411F, SER129E, SER133E, SER138E, SER139E, SER141E, SER213E, SER405F, THR190E, THR207E, TYR146E, TYR316F, TYR367F, TYR408F, TYR432F, VAL180E, VAL182E, VAL211E, VAL320F, VAL348F, VAL358F
• E-I: ALA166E, ALA167E, ALA173E, ALA191E, ALA196E, ALA294I, ALA300I, ALA301I, ALA307I, ALA383I, ALA418I, ARG174E, ARG193E, ARG442I, ASN306I, ASN443I, ASN444I, ASP299I, ASP384I, GLN381I, GLU212E, GLU254E, GLU298I, GLU416I, GLU438I, GLY168E, GLY195E, GLY215E, GLY295I, GLY419I, ILE303I, LEU194E, LEU422I, LEU448I, LYS192E, LYS208E, LYS217E, LYS253E, LYS257E, LYS305I, LYS400I, LYS417I, MET162E, MET163E, MET164E, MET199E, MET293I, MET304I, MET446I, MET447I, PHE160E, PHE302I, PHE441I, PRO161E, PRO171E, PRO172E, SER296I, THR165E, THR169E, THR401I, THR420I, THR445I, VAL170E, VAL197E, VAL198E, VAL221E, VAL385I, VAL421I
• F-I: ALA321F, ALA326F, ALA363F, ARG328F, ASN364F, ASN443I, GLN322F, GLN324F, GLU329F, GLU362F, GLU436I, GLU438I, GLU457F, HIS292I, HIS325F, LYS453F, PHE441I
• G-H: ALA131G, ALA131H, ALA144G, ALA148G, ALA153G, ALA153H, ALA157G, ALA157H, ALA159G, ALA159H, ALA166G, ALA166H, ALA167G, ALA167H, ALA173G, ALA173H, ALA187G, ALA189G, ALA189H, ALA191G, ALA191H, ALA196G, ALA196H, ALA328G, ALA328H, ALA329G, ALA329H, ALA331G, ALA331H, ALA336G, ALA336H, ALA43G, ALA43H, ALA49G, ALA49H, ARG130H, ARG147G, ARG147H, ARG158G, ARG158H, ARG15H, ARG193G, ARG193H, ARG326G, ARG326H, ASN142G, ASN142H, ASN338G, ASN338H, ASN341G, ASN341H, ASP135G, ASP135H, ASP14G, ASP14H, ASP151G, ASP151H, ASP330G, ASP330H, ASP48G, GLN132G, GLN132H, GLN140G, GLN140H, GLN186G, GLN186H, GLU155G, GLU155H, GLY145G, GLY145H, GLY152G, GLY152H, GLY168G, GLY168H, GLY195G, GLY195H, GLY287G, GLY287H, GLY314G, GLY314H, GLY42G, GLY42H, HIS320G, HIS320H, ILE136G, ILE136H, ILE150G, ILE150H, ILE260G, ILE260H, ILE309G, ILE309H, ILE45G, ILE45H, LEU143G, LEU143H, LEU185G, LEU194G, LEU194H, LEU334G, LEU334H, LEU339G, LEU339H, LYS192G, LYS192H, LYS285G, LYS285H, LYS316G, LYS316H, LYS337G, LYS337H, MET134G, MET134H, MET162G, MET162H, MET163G, MET163H, MET164G, MET164H, PHE156G, PHE156H, PHE160G, PHE160H, PHE335G, PHE335H, PRO161G, PRO161H, PRO171G, PRO171H, PRO172G, PRO172H, PRO286G, PRO286H, PRO324G, PRO324H, PRO333G, PRO333H, SER129H, SER133G, SER133H, SER138G, SER138H, SER139G, SER139H, SER288G, SER288H, SER325G, SER325H, SER332G, SER332H, SER44G, SER44H, THR165G, THR165H, THR169G, THR169H, THR190G, THR190H, THR46G, THR46H, TYR146G, TYR146H, TYR154G, TYR154H, VAL149G, VAL149H, VAL170G, VAL170H, VAL182G, VAL22H, VAL318G, VAL318H, VAL327G, VAL327H, VAL41G, VAL41H
• G-I: ALA166G, ALA167G, ALA173G, ALA191G, ALA196G, ALA344I, ALA349I, ALA361I, ARG174G, ARG193G, ASN357I, ASN364I, ASP368I, GLU362I, GLU369I, GLU372I, GLU374I, GLU375I, GLY168G, GLY195G, GLY215G, GLY354I, HIS346I, HIS355I, ILE345I, ILE376I, LEU194G, LEU214G, LEU360I, LEU373I, LYS192G, LYS217G, MET162G, MET163G, MET164G, MET352I, MET356I, MET410I, PHE160G, PHE371I, PRO161G, PRO171G, PRO172G, PRO347I, PRO353I, PRO366I, PRO411I, THR165G, THR169G, TYR343I, TYR367I, VAL170G, VAL197G, VAL348I, VAL358I, VAL365I, VAL370I
• H-I: ALA131H, ALA183H, ALA187H, ALA189H, ALA191H, ALA206H, ALA319I, ALA321I, ALA349I, ALA361I, ALA399I, ALA433I, ARG127H, ARG130H, ARG193H, ARG204H, ARG351I, ARG426I, ASN142H, ASN341H, ASN357I, ASP393I, GLN132H, GLN140H, GLN186H, GLN210H, GLN322I, GLN324I, GLU209H, GLU212H, GLU361H, GLU362I, GLU372I, GLU374I, GLY145H, GLY181H, GLY184H, GLY215H, GLY216H, GLY317I, GLY350I, GLY354I, GLY409I, HIS325I, HIS346I, HIS355I, ILE128H, ILE188H, ILE407I, LEU143H, LEU185H, LEU194H, LEU214H, LEU334H, LEU359I, LEU360I, LEU373I, LYS192H, LYS208H, LYS25H, LYS337H, LYS357H, MET134H, MET318I, MET352I, MET356I, MET410I, PRO347I, PRO353I, PRO403I, PRO406I, PRO411I, SER129H, SER133H, SER138H, SER139H, SER141H, SER213H, SER405I, THR190H, THR207H, TYR146H, TYR316I, TYR367I, TYR408I, TYR432I, VAL180H, VAL182H, VAL211H, VAL320I, VAL348I, VAL358I, VAL394I