1V5B

the structure of the mutant, s225a and e251l, of 3- isopropylmalate dehydrogenase from bacillus coagulans

• Total interactions analyzed: 28
• Total true interactions: 8
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 180
  • Norm. En. per Res.: -4.0778
• 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	-149.6393	88.708	-590.614	-651.5453	188	51	30	24637	8	60	70
A-C	0.0	0.0	-0.3882	-0.3882	12	0	0	84	0	1	5
A-F	0.0	2.3889	-7.6738	-5.2849	13	1	0	254	0	10	10
B-C	-40.7831	-29.2233	-103.615	-173.6214	75	22	1	4484	7	43	40
B-D	0.0	0.0	-4.2132	-4.2132	20	0	0	549	0	3	7
C-D	-221.6738	106.4897	-601.618	-716.8021	181	61	25	25666	11	63	75
E-F	-178.8507	72.1115	-565.02	-671.7592	182	50	27	24375	10	60	73
G-H	-222.246	99.1941	-610.947	-733.9989	180	52	28	25431	11	61	74

Interface residues

• A-B: ALA117A, ALA117B, ALA161A, ALA161B, ALA191B, ALA225A, ALA225B, ALA230A, ALA230B, ALA252A, ALA252B, ARG106A, ARG106B, ARG122A, ARG122B, ARG124A, ARG124B, ARG134A, ARG134B, ARG144A, ARG144B, ARG148A, ARG148B, ARG149A, ARG149B, ARG164A, ARG164B, ARG198A, ARG198B, ARG201A, ARG201B, ASN116A, ASN116B, ASN154A, ASN154B, ASN192A, ASN192B, ASN231A, ASN231B, ASN242A, ASN242B, ASP158A, ASP158B, ASP189A, ASP189B, ASP222A, ASP222B, ASP246A, ASP246B, ASP250A, ASP250B, GLN227A, GLN227B, GLN335A, GLN335B, GLU123A, GLU123B, GLU147A, GLU147B, GLU153A, GLU153B, GLU155A, GLU155B, GLU165A, GLU165B, GLU166A, GLU166B, GLU168A, GLU168B, GLU195A, GLU195B, GLU202A, GLU202B, GLU206B, GLU241A, GLU241B, GLY139A, GLY139B, GLY143A, GLY143B, GLY150A, GLY150B, GLY152A, GLY152B, GLY245A, GLY245B, GLY257A, GLY257B, ILE167A, ILE167B, ILE203A, ILE203B, ILE229A, ILE229B, ILE247A, ILE247B, ILE255A, ILE255B, LEU114A, LEU114B, LEU115A, LEU115B, LEU120A, LEU120B, LEU140A, LEU140B, LEU160A, LEU160B, LEU194A, LEU194B, LEU220A, LEU220B, LEU228A, LEU228B, LEU248A, LEU248B, LEU251A, LEU251B, LEU259A, LEU259B, LEU262A, LEU93A, LEU93B, LYS121A, LYS121B, LYS190A, LYS190B, MET199A, MET199B, MET226A, MET226B, MET243A, MET243B, PHE142A, PHE142B, PHE244A, PHE244B, PRO119A, PRO119B, PRO145A, PRO145B, PRO151A, PRO151B, PRO232A, PRO232B, SER118A, SER118B, SER146A, SER146B, SER196A, SER196B, SER197A, SER197B, SER223A, SER223B, SER249A, SER249B, SER253A, SER253B, THR159A, THR159B, THR163A, THR163B, THR224A, THR224B, THR256A, THR256B, TRP200A, TRP200B, TYR141A, TYR141B, TYR162A, TYR162B, VAL125A, VAL125B, VAL156A, VAL156B, VAL157A, VAL157B, VAL188A, VAL193A, VAL193B, VAL221A, VAL221B, VAL254A, VAL254B, VAL278A, VAL278B
• A-C: ALA315C, ASN116A, ASN338A, ASP32C, GLN335A, GLU311C, GLU313C, HIS34C, LEU310C, LYS121A, LYS312C, LYS319C
• A-F: ARG64F, ARG65F, ASN31A, ASN356A, ASP30A, ASP32A, ASP61F, GLU353A, GLU39F, GLU58F, ILE62F, LEU355A, LYS354A
• B-C: ALA110B, ALA110C, ALA112B, ALA112C, ALA315B, ALA315C, ALA316B, ALA320B, ALA320C, ALA337B, ALA337C, ARG122B, ARG122C, ARG124C, ARG182B, ARG182C, ARG350B, ARG350C, ASN116B, ASN116C, ASN127B, ASN127C, ASN231C, ASN338B, ASN338C, ASP129B, ASP129C, ASP322B, ASP322C, ASP323B, ASP323C, ASP327B, ASP327C, GLN326B, GLN326C, GLN335C, GLU123B, GLU123C, GLU126B, GLU126C, GLU318B, GLY233C, GLY328B, GLY328C, GLY339B, GLY339C, LEU114B, LEU114C, LEU115B, LEU115C, LEU325B, LEU325C, LYS109B, LYS109C, LYS121C, LYS319B, LYS319C, LYS340B, LYS340C, LYS354B, LYS354C, THR113B, THR113C, TYR111B, TYR111C, TYR329B, TYR329C, VAL125B, VAL128B, VAL128C, VAL321B, VAL324B, VAL324C, VAL336B, VAL336C
• B-D: ALA112D, ALA337D, ARG122D, ASN116D, ASN338D, ASP32B, GLU311B, GLU313B, GLY309B, GLY33B, HIS34B, LEU115D, LEU310B, LYS121D, LYS312B, LYS319B, LYS340D, MET1B, THR113D, VAL336D
• C-D: ALA117C, ALA117D, ALA161C, ALA161D, ALA225C, ALA225D, ALA230C, ALA230D, ALA252C, ALA252D, ARG106C, ARG106D, ARG122C, ARG122D, ARG124C, ARG124D, ARG134C, ARG134D, ARG144C, ARG144D, ARG148C, ARG148D, ARG149C, ARG149D, ARG164C, ARG164D, ARG198C, ARG198D, ARG201C, ARG201D, ASN116C, ASN116D, ASN154C, ASN154D, ASN192C, ASN192D, ASN231C, ASN231D, ASN242C, ASN242D, ASP158C, ASP158D, ASP189D, ASP222C, ASP222D, ASP246C, ASP246D, ASP250C, ASP250D, GLN227C, GLN227D, GLN335C, GLN335D, GLU123C, GLU123D, GLU147C, GLU147D, GLU153C, GLU153D, GLU155C, GLU155D, GLU165C, GLU165D, GLU166C, GLU166D, GLU168D, GLU195C, GLU195D, GLU202C, GLU202D, GLU241C, GLU241D, GLY139C, GLY139D, GLY143C, GLY143D, GLY150C, GLY150D, GLY152C, GLY152D, GLY245D, GLY257C, GLY257D, ILE167C, ILE167D, ILE203C, ILE203D, ILE229C, ILE229D, ILE247C, ILE247D, ILE255C, ILE255D, LEU114C, LEU114D, LEU115C, LEU115D, LEU120C, LEU120D, LEU140C, LEU140D, LEU160C, LEU160D, LEU194C, LEU194D, LEU220C, LEU220D, LEU228C, LEU228D, LEU248C, LEU248D, LEU251C, LEU251D, LEU259C, LEU259D, LEU262C, LEU262D, LYS121C, LYS121D, LYS190C, LYS190D, MET199C, MET199D, MET226C, MET226D, MET243C, MET243D, PHE142C, PHE142D, PHE244C, PHE244D, PRO119C, PRO119D, PRO145C, PRO145D, PRO151C, PRO151D, PRO232C, PRO232D, SER118C, SER118D, SER146C, SER146D, SER196C, SER196D, SER197C, SER197D, SER223C, SER223D, SER249C, SER249D, SER253C, SER253D, THR159C, THR159D, THR163C, THR163D, THR224C, THR224D, THR256C, THR256D, TRP200C, TRP200D, TYR141C, TYR141D, TYR162C, TYR162D, VAL125C, VAL125D, VAL156C, VAL156D, VAL157C, VAL157D, VAL193C, VAL193D, VAL221C, VAL221D, VAL254C, VAL254D, VAL278C, VAL278D
• E-F: ALA117E, ALA117F, ALA161E, ALA161F, ALA225E, ALA225F, ALA230E, ALA230F, ALA252E, ALA252F, ARG106E, ARG106F, ARG122E, ARG122F, ARG124E, ARG124F, ARG134E, ARG134F, ARG144E, ARG144F, ARG148E, ARG148F, ARG149E, ARG149F, ARG164E, ARG164F, ARG198E, ARG198F, ARG201E, ARG201F, ASN116E, ASN116F, ASN154E, ASN154F, ASN192E, ASN192F, ASN231E, ASN231F, ASN242E, ASN242F, ASP158E, ASP158F, ASP189E, ASP189F, ASP222E, ASP222F, ASP246E, ASP246F, ASP250E, ASP250F, GLN227E, GLN227F, GLN335E, GLU123E, GLU123F, GLU147E, GLU147F, GLU153E, GLU153F, GLU155E, GLU155F, GLU165E, GLU165F, GLU166E, GLU166F, GLU168E, GLU168F, GLU195E, GLU195F, GLU202E, GLU202F, GLU206E, GLU241E, GLU241F, GLY139E, GLY139F, GLY143E, GLY143F, GLY150F, GLY152E, GLY152F, GLY245E, GLY245F, GLY257E, GLY257F, ILE167E, ILE167F, ILE203E, ILE203F, ILE229E, ILE229F, ILE247E, ILE247F, ILE255E, ILE255F, LEU114E, LEU114F, LEU115E, LEU115F, LEU120E, LEU120F, LEU140E, LEU140F, LEU160E, LEU160F, LEU194E, LEU194F, LEU220E, LEU220F, LEU228E, LEU228F, LEU248E, LEU248F, LEU251E, LEU251F, LEU259E, LEU259F, LEU262F, LYS121E, LYS121F, LYS190E, LYS190F, MET199E, MET199F, MET226E, MET226F, MET243E, MET243F, PHE142E, PHE142F, PHE244E, PHE244F, PRO119E, PRO119F, PRO145E, PRO145F, PRO151E, PRO151F, PRO232E, PRO232F, SER118E, SER118F, SER146E, SER146F, SER196E, SER196F, SER197E, SER197F, SER223E, SER223F, SER249E, SER249F, SER253E, SER253F, THR159E, THR159F, THR163E, THR163F, THR224E, THR224F, THR256E, TRP200E, TRP200F, TYR141E, TYR141F, TYR162E, TYR162F, VAL125E, VAL125F, VAL156E, VAL156F, VAL157E, VAL157F, VAL188E, VAL188F, VAL193E, VAL193F, VAL221E, VAL221F, VAL254E, VAL254F, VAL278F
• G-H: ALA117G, ALA117H, ALA161G, ALA161H, ALA225G, ALA225H, ALA230G, ALA230H, ALA252G, ALA252H, ARG106G, ARG106H, ARG122G, ARG122H, ARG124G, ARG124H, ARG134G, ARG134H, ARG144G, ARG144H, ARG148G, ARG148H, ARG149G, ARG149H, ARG164G, ARG164H, ARG198G, ARG198H, ARG201G, ARG201H, ASN116G, ASN116H, ASN154G, ASN154H, ASN192G, ASN192H, ASN231G, ASN231H, ASN242G, ASN242H, ASP158G, ASP158H, ASP189G, ASP189H, ASP222G, ASP222H, ASP246G, ASP246H, ASP250G, ASP250H, GLN227G, GLN227H, GLU123G, GLU123H, GLU147G, GLU147H, GLU153G, GLU153H, GLU155G, GLU155H, GLU165G, GLU165H, GLU166G, GLU166H, GLU168H, GLU195G, GLU195H, GLU202G, GLU202H, GLU241G, GLU241H, GLY139G, GLY139H, GLY143G, GLY143H, GLY150G, GLY152G, GLY152H, GLY245G, GLY245H, GLY257G, GLY257H, ILE167G, ILE167H, ILE203G, ILE203H, ILE229G, ILE229H, ILE247G, ILE247H, ILE255G, ILE255H, LEU114G, LEU114H, LEU115G, LEU115H, LEU120G, LEU120H, LEU140G, LEU140H, LEU160G, LEU160H, LEU194G, LEU194H, LEU220G, LEU220H, LEU228G, LEU228H, LEU248G, LEU248H, LEU251G, LEU251H, LEU259G, LEU259H, LEU262G, LEU262H, LYS121G, LYS121H, LYS190G, LYS190H, MET199G, MET199H, MET226G, MET226H, MET243G, MET243H, PHE142G, PHE142H, PHE244G, PHE244H, PRO119G, PRO119H, PRO145G, PRO145H, PRO151G, PRO151H, PRO232G, PRO232H, SER118G, SER118H, SER146G, SER146H, SER196G, SER196H, SER197G, SER197H, SER223G, SER223H, SER249G, SER249H, SER253G, SER253H, THR159G, THR159H, THR163G, THR163H, THR224G, THR224H, THR256G, TRP200G, TRP200H, TYR141G, TYR141H, TYR162G, TYR162H, VAL125G, VAL125H, VAL156G, VAL156H, VAL157G, VAL157H, VAL188G, VAL193G, VAL193H, VAL221G, VAL221H, VAL254G, VAL254H, VAL278G, VAL278H