2NU9

c123at mutant of e. coli succinyl-coa synthetase orthorhombic crystal form

• Total interactions analyzed: 28
• Total true interactions: 19
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 67
  • Norm. En. per Res.: -3.2155
• Hub Node: B(5)

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	-89.3793	-17.921	-401.241	-508.5413	196	23	7	18517	8	55	44
A-E	-2.7575	-30.0469	-24.8921	-57.6966	29	0	0	1309	2	2	3
A-F	0.0	9.517	-0.9164	8.6005	4	0	0	108	0	6	5
A-G	-18.6507	-51.3279	-124.112	-194.0906	67	5	2	5169	4	18	18
B-D	0.0	-31.481	-26.2144	-57.6954	29	0	0	1320	2	2	3
B-E	-47.1891	4.9147	-160.601	-202.8754	120	9	0	7666	11	53	43
B-F	-19.5596	-52.601	-143.277	-215.4376	67	11	2	5864	4	18	19
B-G	0.0	0.0	-18.6426	-18.6426	16	0	1	696	0	0	2
B-I	0.0	0.0	-0.0009	-0.0009	4	0	0	2	0	2	3
D-E	-93.1452	-17.9979	-402.058	-513.2012	198	30	8	18763	8	59	47
D-H	0.0	9.5376	-0.7659	8.7717	4	0	0	93	0	4	5
D-I	-21.3948	-53.1305	-133.202	-207.7272	67	8	2	5492	4	18	19
E-H	-19.6806	-52.4323	-112.345	-184.4579	63	3	2	4895	4	18	18
E-I	0.0	0.0	-21.3215	-21.3215	16	0	1	736	0	0	2
F-G	-87.9714	-18.3289	-403.02	-509.3203	201	25	7	18716	8	60	47
F-I	-2.9852	-29.4406	-25.9927	-58.4185	33	0	0	1341	2	2	3
G-H	-8.4088	-29.6325	-29.1194	-67.1607	33	0	0	1464	2	2	4
G-I	-36.7687	9.474	-174.131	-201.4258	120	6	0	7708	10	48	42
H-I	-85.2323	-19.5774	-420.044	-524.8538	202	26	8	19276	9	60	48

Interface residues

• A-B: ALA137B, ALA148B, ALA160A, ALA185B, ALA194B, ALA213A, ALA218B, ALA222B, ALA234A, ALA238A, ALA246B, ALA247A, ALA249A, ALA252A, ALA254B, ALA258A, ALA266B, ALA269B, ALA277A, ALA354B, ALA378B, ALA74A, ARG116B, ARG119B, ARG120B, ARG152A, ARG191B, ARG225B, ARG233B, ARG243A, ARG274A, ARG324B, ARG348B, ASN122A, ASN186A, ASN221B, ASN251B, ASN264B, ASN285B, ASN317B, ASN352B, ASN353B, ASP103A, ASP112A, ASP115B, ASP150B, ASP166A, ASP180A, ASP192B, ASP219B, ASP239B, ASP256B, ASP274B, ASP278A, ASP288B, ASP376B, CYS261B, CYS325B, CYS77A, GLN137A, GLN163A, GLN19A, GLN226B, GLN26A, GLU113A, GLU134B, GLU138B, GLU159A, GLU190B, GLU208A, GLU214A, GLU216A, GLU238B, GLU242B, GLU282B, GLU350B, GLU97A, GLY154A, GLY178A, GLY179A, GLY184A, GLY207A, GLY210A, GLY211A, GLY220B, GLY235A, GLY245A, GLY248A, GLY253A, GLY254A, GLY256A, GLY265B, GLY267B, GLY271B, GLY281B, GLY320B, GLY321B, GLY351B, GLY373B, GLY98A, HIS140A, HIS142A, HIS23A, HIS279B, ILE133B, ILE136A, ILE141A, ILE182A, ILE187B, ILE206A, ILE209A, ILE233A, ILE250A, ILE251A, ILE275B, ILE318B, ILE322B, ILE99A, LEU102A, LEU105A, LEU149B, LEU152B, LEU156A, LEU189B, LEU193B, LEU195B, LEU223B, LEU250B, LEU255B, LEU268B, LEU276A, LEU278B, LEU287B, LEU349B, LEU374B, LYS108A, LYS110A, LYS146B, LYS162A, LYS242A, LYS255A, LYS261A, LYS277B, LYS78A, MET104A, MET1B, MET244A, MET270B, MET273B, PHE188B, PHE224B, PHE22A, PHE262A, PHE286B, PHE319B, PHE76A, PRO100A, PRO121A, PRO138A, PRO151B, PRO181A, PRO183A, PRO239A, PRO283B, PRO75A, SER117B, SER118B, SER151A, SER153A, SER212A, SER275A, THR101A, THR106A, THR155A, THR157A, THR237A, THR272B, THR375B, THR96A, TYR158A, TYR232A, TYR252B, VAL107A, VAL109A, VAL113B, VAL114B, VAL121B, VAL122B, VAL161A, VAL236A, VAL253B, VAL263B, VAL273A, VAL276B, VAL289B, VAL323B
• A-E: ALA34E, ALA40E, ALA74A, ARG29E, ARG70E, GLN19A, GLU32E, GLU33E, GLU67E, GLU97A, GLY17A, GLY20A, GLY98A, ILE38E, ILE99A, LYS37E, LYS42A, LYS66E, PHE76A, PRO73A, PRO75A, SER18A, SER36E, THR16A, THR21A, THR39A, THR96A, TYR23E, VAL72A
• A-F: GLU113A, GLU113F, VAL109A, VAL109F
• A-G: ALA114A, ALA148G, ALA164G, ALA84A, ALA87A, ARG120G, ARG161G, ARG57A, ASN54A, ASP103A, ASP112A, ASP150G, ASP79A, ASP86A, CYS77A, GLN13A, GLN159G, GLN175G, GLU113A, GLU162G, GLU170G, GLU58A, GLU83A, GLY154G, GLY160G, GLY168G, GLY171G, GLY41A, GLY43A, ILE81A, ILE85A, LEU105A, LEU111A, LEU152G, LEU163G, LEU169G, LEU82A, LYS108A, LYS110A, LYS146G, LYS166G, LYS42A, LYS78A, MET156G, MET182G, PHE165G, PHE53A, PHE76A, PRO151G, PRO155G, PRO157G, PRO40A, PRO75A, SER80A, THR106A, THR153G, THR178G, THR39A, THR55A, TYR158G, VAL107A, VAL109A, VAL147G, VAL174G, VAL38A, VAL56A, VAL72A
• B-D: ALA34B, ALA40B, ALA74D, ARG29B, ARG70B, GLN19D, GLU32B, GLU33B, GLU67B, GLU97D, GLY17D, GLY20D, GLY98D, ILE38B, ILE99D, LYS37B, LYS42D, LYS66B, PHE76D, PRO73D, PRO75D, SER18D, SER36B, THR16D, THR21D, THR39D, THR96D, TYR23B, VAL72D
• B-E: ALA243B, ALA243E, ALA245B, ALA245E, ALA246B, ALA246E, ALA24B, ALA24E, ALA73B, ALA73E, ARG14B, ARG14E, ARG230B, ARG230E, ARG233B, ARG233E, ARG297B, ARG297E, ARG29B, ARG29E, ARG70B, ARG70E, ASN221B, ASN221E, ASN251B, ASN251E, ASN75B, ASN75E, ASN94B, ASN94E, ASP228B, ASP228E, ASP234B, ASP234E, CYS25B, CYS25E, GLN10B, GLN10E, GLN226B, GLN226E, GLN235B, GLN235E, GLN244B, GLN244E, GLN247B, GLN247E, GLN7B, GLN7E, GLN95B, GLN95E, GLU231B, GLU231E, GLU249B, GLU249E, GLU296B, GLU296E, GLU300B, GLU300E, GLU30B, GLU30E, GLU32B, GLU32E, GLU74B, GLU74E, GLY290B, GLY290E, GLY291B, GLY291E, GLY292B, GLY292E, GLY78B, GLY78E, HIS4B, HIS4E, ILE96B, ILE96E, LEU223B, LEU223E, LEU229B, LEU229E, LEU250B, LEU250E, LEU3B, LEU3E, LEU77B, LEU77E, LYS303B, LYS303E, LYS37B, LYS37E, LYS79B, LYS79E, MET232B, MET232E, PHE224B, PHE224E, PRO227B, PRO227E, PRO28B, PRO28E, PRO92B, PRO92E, SER236B, SER236E, THR26B, THR26E, THR27B, THR27E, THR294B, THR294E, TRP248B, TRP248E, TRP76B, TRP76E, TYR23B, TYR23E, TYR6B, TYR6E, VAL93B, VAL93E
• B-F: ALA114F, ALA148B, ALA164B, ALA84F, ALA87F, ARG120B, ARG161B, ARG57F, ASN54F, ASP103F, ASP112F, ASP150B, ASP79F, ASP86F, CYS77F, GLN13F, GLN159B, GLN175B, GLU113F, GLU162B, GLU170B, GLU58F, GLU83F, GLY154B, GLY160B, GLY168B, GLY171B, GLY41F, GLY43F, ILE81F, ILE85F, LEU105F, LEU111F, LEU152B, LEU163B, LEU169B, LEU82F, LYS108F, LYS110F, LYS146B, LYS166B, LYS42F, LYS78F, MET156B, MET182B, PHE165B, PHE53F, PHE76F, PRO151B, PRO155B, PRO157B, PRO40F, PRO75F, SER80F, THR106F, THR153B, THR178B, THR39F, THR55F, TYR158B, VAL107F, VAL109F, VAL147B, VAL174B, VAL38F, VAL56F, VAL72F
• B-G: ARG120B, ARG120G, ARG225B, ARG225G, ASP150B, ASP150G, GLY154B, GLY154G, LEU152B, LEU152G, MET156B, MET156G, PRO151B, PRO151G, THR153B, THR153G
• B-I: GLN206B, GLN206I, LYS172B, LYS172I
• D-E: ALA137E, ALA148E, ALA160D, ALA185E, ALA194E, ALA213D, ALA218E, ALA222E, ALA234D, ALA238D, ALA243E, ALA246E, ALA247D, ALA249D, ALA252D, ALA254E, ALA258D, ALA266E, ALA269E, ALA277D, ALA354E, ALA378E, ALA74D, ARG116E, ARG119E, ARG120E, ARG152D, ARG191E, ARG225E, ARG233E, ARG243D, ARG274D, ARG324E, ARG348E, ASN122D, ASN186D, ASN221E, ASN251E, ASN264E, ASN285E, ASN317E, ASN352E, ASN353E, ASP103D, ASP112D, ASP115E, ASP150E, ASP180D, ASP189D, ASP192E, ASP219E, ASP239E, ASP256E, ASP274E, ASP278D, ASP288E, ASP376E, CYS325E, CYS77D, GLN137D, GLN163D, GLN19D, GLN226E, GLN26D, GLU113D, GLU134E, GLU138E, GLU159D, GLU190E, GLU208D, GLU214D, GLU216D, GLU238E, GLU242E, GLU282E, GLU350E, GLU97D, GLY154D, GLY178D, GLY179D, GLY184D, GLY207D, GLY210D, GLY211D, GLY220E, GLY235D, GLY245D, GLY248D, GLY253D, GLY254D, GLY256D, GLY265E, GLY267E, GLY271E, GLY281E, GLY320E, GLY321E, GLY351E, GLY373E, GLY98D, HIS140D, HIS142D, HIS23D, HIS279E, ILE133E, ILE136D, ILE141D, ILE182D, ILE187E, ILE206D, ILE209D, ILE233D, ILE250D, ILE251D, ILE275E, ILE318E, ILE322E, ILE99D, LEU102D, LEU105D, LEU149E, LEU152E, LEU156D, LEU189E, LEU193E, LEU195E, LEU223E, LEU250E, LEU255E, LEU268E, LEU276D, LEU278E, LEU287E, LEU349E, LEU374E, LYS108D, LYS110D, LYS146E, LYS162D, LYS242D, LYS255D, LYS261D, LYS277E, LYS78D, MET104D, MET1E, MET244D, MET270E, MET273E, PHE187D, PHE188E, PHE224E, PHE22D, PHE262D, PHE286E, PHE319E, PHE76D, PRO100D, PRO121D, PRO138D, PRO151E, PRO181D, PRO183D, PRO239D, PRO283E, PRO75D, SER117E, SER118E, SER151D, SER153D, SER185D, SER212D, SER275D, THR101D, THR106D, THR155D, THR157D, THR237D, THR272E, THR375E, THR96D, TYR158D, TYR232D, TYR252E, VAL107D, VAL109D, VAL113E, VAL114E, VAL121E, VAL122E, VAL161D, VAL236D, VAL253E, VAL263E, VAL273D, VAL276E, VAL289E, VAL323E
• D-H: GLU113D, GLU113H, VAL109D, VAL109H
• D-I: ALA114D, ALA148I, ALA164I, ALA84D, ALA87D, ARG120I, ARG161I, ARG57D, ASN54D, ASP103D, ASP112D, ASP150I, ASP79D, ASP86D, CYS77D, GLN13D, GLN159I, GLN175I, GLU113D, GLU162I, GLU170I, GLU58D, GLU83D, GLY154I, GLY160I, GLY168I, GLY171I, GLY41D, GLY43D, ILE81D, ILE85D, LEU105D, LEU111D, LEU152I, LEU163I, LEU169I, LEU82D, LYS108D, LYS110D, LYS146I, LYS166I, LYS42D, LYS78D, MET156I, MET182I, PHE165I, PHE53D, PHE76D, PRO151I, PRO155I, PRO157I, PRO40D, PRO75D, SER80D, THR106D, THR153I, THR178I, THR39D, THR55D, TYR158I, VAL107D, VAL109D, VAL147I, VAL174I, VAL38D, VAL56D, VAL72D
• E-H: ALA114H, ALA148E, ALA84H, ALA87H, ARG120E, ARG161E, ARG57H, ASN54H, ASP103H, ASP112H, ASP150E, ASP79H, ASP86H, CYS77H, GLN13H, GLN159E, GLN175E, GLU113H, GLU162E, GLU170E, GLU58H, GLU83H, GLY154E, GLY160E, GLY171E, GLY41H, GLY43H, ILE81H, ILE85H, LEU105H, LEU111H, LEU152E, LEU163E, LEU169E, LEU82H, LYS108H, LYS110H, LYS166E, LYS42H, LYS78H, MET156E, MET182E, PHE165E, PHE76H, PRO151E, PRO155E, PRO157E, PRO40H, PRO75H, SER80H, THR106H, THR153E, THR178E, THR39H, THR55H, TYR158E, VAL107H, VAL109H, VAL147E, VAL174E, VAL38H, VAL56H, VAL72H
• E-I: ARG120E, ARG120I, ARG225E, ARG225I, ASP150E, ASP150I, GLY154E, GLY154I, LEU152E, LEU152I, MET156E, MET156I, PRO151E, PRO151I, THR153E, THR153I
• F-G: ALA137G, ALA148G, ALA160F, ALA185G, ALA194G, ALA213F, ALA218G, ALA222G, ALA234F, ALA238F, ALA243G, ALA246G, ALA247F, ALA249F, ALA252F, ALA254G, ALA258F, ALA266G, ALA269G, ALA277F, ALA354G, ALA378G, ALA74F, ARG116G, ARG119G, ARG120G, ARG152F, ARG191G, ARG225G, ARG233G, ARG243F, ARG274F, ARG324G, ARG348G, ASN122F, ASN186F, ASN221G, ASN251G, ASN264G, ASN285G, ASN317G, ASN352G, ASN353G, ASP103F, ASP112F, ASP115G, ASP150G, ASP180F, ASP189F, ASP192G, ASP219G, ASP239G, ASP256G, ASP274G, ASP278F, ASP288G, ASP376G, CYS261G, CYS325G, CYS77F, GLN137F, GLN163F, GLN19F, GLN226G, GLN237G, GLN26F, GLU113F, GLU134G, GLU138G, GLU159F, GLU190G, GLU208F, GLU214F, GLU215F, GLU216F, GLU238G, GLU242G, GLU282G, GLU350G, GLU97F, GLY154F, GLY178F, GLY179F, GLY184F, GLY207F, GLY210F, GLY211F, GLY220G, GLY235F, GLY245F, GLY248F, GLY253F, GLY254F, GLY256F, GLY265G, GLY267G, GLY271G, GLY281G, GLY320G, GLY321G, GLY351G, GLY373G, GLY98F, HIS140F, HIS142F, HIS23F, HIS279G, ILE133G, ILE136F, ILE141F, ILE182F, ILE187G, ILE206F, ILE209F, ILE233F, ILE250F, ILE251F, ILE275G, ILE318G, ILE322G, ILE99F, LEU102F, LEU105F, LEU149G, LEU152G, LEU156F, LEU189G, LEU193G, LEU195G, LEU223G, LEU250G, LEU255G, LEU268G, LEU276F, LEU278G, LEU287G, LEU349G, LEU374G, LYS108F, LYS110F, LYS146G, LYS162F, LYS242F, LYS255F, LYS261F, LYS277G, LYS78F, MET104F, MET1G, MET244F, MET270G, MET273G, PHE187F, PHE188G, PHE224G, PHE22F, PHE262F, PHE286G, PHE319G, PHE76F, PRO100F, PRO121F, PRO138F, PRO151G, PRO181F, PRO183F, PRO239F, PRO283G, PRO75F, SER117G, SER118G, SER151F, SER153F, SER185F, SER212F, SER275F, THR101F, THR106F, THR155F, THR157F, THR237F, THR272G, THR375G, THR96F, TYR158F, TYR232F, TYR252G, VAL107F, VAL109F, VAL113G, VAL114G, VAL121G, VAL122G, VAL161F, VAL236F, VAL253G, VAL263G, VAL273F, VAL276G, VAL289G, VAL323G
• F-I: ALA34I, ALA35I, ALA40I, ALA74F, ARG29I, ARG70I, GLN19F, GLU30I, GLU32I, GLU33I, GLU67I, GLU97F, GLY17F, GLY20F, GLY98F, ILE38I, ILE95F, ILE99F, LYS37I, LYS42F, LYS66I, PHE76F, PRO73F, PRO75F, SER18F, SER36I, THR16F, THR21F, THR39F, THR96F, TYR23I, TYR71F, VAL72F
• G-H: ALA34G, ALA40G, ALA74H, ARG29G, ARG70G, ASN122H, GLN19H, GLU30G, GLU32G, GLU33G, GLU67G, GLU97H, GLY17H, GLY20H, GLY98H, ILE38G, ILE95H, ILE99H, LYS37G, LYS42H, LYS66G, PHE76H, PRO73H, PRO75H, SER18H, SER36G, THR16H, THR21H, THR39H, THR96H, TYR23G, TYR71H, VAL72H
• G-I: ALA243G, ALA243I, ALA245G, ALA245I, ALA246G, ALA246I, ALA24G, ALA24I, ALA73G, ALA73I, ARG14G, ARG14I, ARG230G, ARG230I, ARG233G, ARG233I, ARG297G, ARG297I, ARG29G, ARG29I, ARG70G, ARG70I, ASN221G, ASN221I, ASN251G, ASN75G, ASN75I, ASN94G, ASN94I, ASP228G, ASP228I, ASP234G, ASP234I, CYS25G, CYS25I, GLN10G, GLN10I, GLN226G, GLN226I, GLN235G, GLN235I, GLN244G, GLN244I, GLN247G, GLN247I, GLN7G, GLN7I, GLN95G, GLN95I, GLU231G, GLU231I, GLU249G, GLU249I, GLU296G, GLU296I, GLU300G, GLU300I, GLU30G, GLU30I, GLU32G, GLU32I, GLU74G, GLU74I, GLY290G, GLY290I, GLY291G, GLY291I, GLY292G, GLY292I, GLY78G, GLY78I, HIS4G, HIS4I, ILE96G, ILE96I, LEU223G, LEU223I, LEU229G, LEU229I, LEU250G, LEU250I, LEU3G, LEU3I, LEU77G, LEU77I, LYS303G, LYS303I, LYS37G, LYS37I, LYS79G, LYS79I, MET232G, MET232I, PHE224G, PHE224I, PRO227G, PRO227I, PRO28G, PRO28I, PRO92G, PRO92I, SER236G, SER236I, THR26G, THR26I, THR27G, THR27I, THR294G, THR294I, THR299G, TRP248G, TRP248I, TRP76G, TRP76I, TYR23G, TYR23I, TYR6G, TYR6I, VAL93G, VAL93I
• H-I: ALA137I, ALA148I, ALA160H, ALA185I, ALA194I, ALA213H, ALA218I, ALA222I, ALA234H, ALA238H, ALA243I, ALA246I, ALA247H, ALA249H, ALA252H, ALA254I, ALA258H, ALA266I, ALA269I, ALA277H, ALA354I, ALA378I, ALA74H, ARG116I, ARG119I, ARG120I, ARG152H, ARG191I, ARG225I, ARG233I, ARG243H, ARG274H, ARG324I, ARG348I, ASN122H, ASN186H, ASN221I, ASN251I, ASN264I, ASN285I, ASN317I, ASN352I, ASN353I, ASP103H, ASP112H, ASP115I, ASP150I, ASP166H, ASP180H, ASP189H, ASP192I, ASP219I, ASP239I, ASP256I, ASP274I, ASP278H, ASP288I, ASP376I, CYS325I, CYS77H, GLN137H, GLN163H, GLN19H, GLN226I, GLN237I, GLN26H, GLU113H, GLU134I, GLU138I, GLU159H, GLU190I, GLU208H, GLU214H, GLU216H, GLU238I, GLU242I, GLU282I, GLU350I, GLU97H, GLY154H, GLY178H, GLY179H, GLY184H, GLY207H, GLY210H, GLY211H, GLY220I, GLY235H, GLY245H, GLY248H, GLY253H, GLY254H, GLY256H, GLY265I, GLY267I, GLY271I, GLY281I, GLY320I, GLY321I, GLY351I, GLY373I, GLY98H, HIS140H, HIS142H, HIS23H, HIS279I, ILE133I, ILE136H, ILE141H, ILE182H, ILE187I, ILE206H, ILE209H, ILE233H, ILE250H, ILE251H, ILE275I, ILE318I, ILE322I, ILE99H, LEU102H, LEU105H, LEU149I, LEU152I, LEU156H, LEU189I, LEU193I, LEU195I, LEU223I, LEU250I, LEU255I, LEU268I, LEU276H, LEU278I, LEU287I, LEU349I, LEU374I, LYS108H, LYS110H, LYS146I, LYS162H, LYS242H, LYS255H, LYS261H, LYS277I, LYS78H, MET104H, MET1I, MET244H, MET270I, MET273I, PHE187H, PHE188I, PHE224I, PHE22H, PHE262H, PHE286I, PHE319I, PHE76H, PRO100H, PRO121H, PRO138H, PRO151I, PRO181H, PRO183H, PRO239H, PRO283I, PRO73H, PRO75H, SER117I, SER118I, SER151H, SER153H, SER185H, SER212H, SER275H, THR101H, THR106H, THR155H, THR157H, THR165H, THR237H, THR272I, THR375I, THR96H, TYR158H, TYR232H, TYR252I, VAL107H, VAL109H, VAL113I, VAL114I, VAL121I, VAL122I, VAL161H, VAL236H, VAL253I, VAL263I, VAL273H, VAL276I, VAL289I, VAL323I