2D4V

crystal structure of nad dependent isocitrate dehydrogenase from acidithiobacillus thiooxidans

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 338
  • Norm. En. per Res.: -4.5095
• Hub Node: A(2)

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	-321.3357	46.0707	-1248.94	-1524.205	338	50	36	47949	8	108	97
A-D	-2.9506	10.4301	-83.3545	-75.875	71	6	4	4716	2	35	37
C-D	-306.7256	68.7467	-1226.54	-1464.5189	334	52	34	47664	8	108	101

Interface residues

• A-B: ALA117A, ALA117B, ALA161A, ALA161B, ALA167A, ALA167B, ALA172A, ALA172B, ALA195A, ALA195B, ALA295A, ALA295B, ALA325A, ALA325B, ALA327A, ALA327B, ALA328A, ALA328B, ALA336A, ALA355A, ALA355B, ALA359A, ALA359B, ALA407A, ALA407B, ALA408A, ALA408B, ARG112A, ARG112B, ARG119A, ARG119B, ARG129A, ARG129B, ARG142A, ARG142B, ARG153A, ARG153B, ARG177A, ARG177B, ARG180A, ARG180B, ARG189A, ARG189B, ARG208A, ARG208B, ARG242A, ARG242B, ARG305A, ARG305B, ARG410A, ARG410B, ASN115A, ASN115B, ASN155A, ASN155B, ASN232A, ASN232B, ASN297A, ASN297B, ASN316A, ASN316B, ASN318A, ASN318B, ASP121A, ASP121B, ASP123A, ASP123B, ASP158A, ASP158B, ASP192A, ASP192B, ASP243A, ASP243B, ASP292A, ASP292B, ASP296A, ASP296B, ASP320A, ASP320B, ASP324A, ASP324B, ASP357A, ASP357B, ASP405A, ASP405B, ASP412A, GLN120A, GLN120B, GLN276A, GLN276B, GLN300A, GLN300B, GLN301A, GLN301B, GLN361A, GLN361B, GLU104A, GLU104B, GLU154A, GLU154B, GLU157A, GLU157B, GLU164A, GLU164B, GLU171A, GLU171B, GLU173A, GLU173B, GLU181A, GLU181B, GLU182A, GLU182B, GLU204A, GLU204B, GLU207A, GLU207B, GLU238A, GLU238B, GLU307A, GLU307B, GLU329A, GLU329B, GLY108A, GLY108B, GLY109A, GLY109B, GLY110A, GLY110B, GLY162A, GLY162B, GLY168A, GLY168B, GLY184A, GLY184B, GLY197A, GLY197B, GLY205A, GLY205B, GLY231A, GLY231B, GLY239A, GLY239B, GLY240A, GLY240B, GLY319A, GLY319B, GLY331A, GLY331B, GLY332A, GLY332B, GLY334A, GLY334B, GLY353A, GLY353B, GLY360A, GLY360B, GLY404A, GLY404B, GLY411A, GLY411B, HIS143A, HIS143B, HIS229A, HIS229B, HIS352A, HIS352B, ILE111A, ILE111B, ILE159A, ILE159B, ILE163A, ILE163B, ILE175A, ILE175B, ILE176A, ILE176B, ILE188A, ILE188B, ILE196A, ILE196B, ILE198A, ILE198B, ILE233A, ILE233B, ILE294A, ILE294B, ILE302A, ILE302B, ILE333A, ILE333B, ILE358A, ILE358B, LEU103A, LEU103B, LEU114A, LEU114B, LEU122A, LEU122B, LEU124A, LEU124B, LEU179A, LEU179B, LEU209A, LEU209B, LEU299A, LEU299B, LEU303A, LEU303B, LEU304A, LEU304B, LEU315A, LEU315B, LEU317A, LEU317B, LEU326A, LEU326B, LEU406A, LEU406B, LEU409A, LEU409B, LYS146A, LYS146B, LYS174A, LYS174B, LYS187A, LYS187B, LYS199A, LYS199B, LYS230A, LYS230B, LYS235A, LYS235B, LYS263A, LYS272A, LYS272B, LYS363B, MET141A, MET141B, MET183A, MET183B, MET234A, MET234B, MET335A, MET335B, PHE178A, PHE178B, PHE190A, PHE190B, PHE236A, PHE236B, PHE241A, PHE241B, PHE298A, PHE298B, PRO106A, PRO106B, PRO138A, PRO138B, PRO140A, PRO140B, PRO144A, PRO144B, PRO166A, PRO166B, PRO170A, PRO170B, PRO191A, PRO191B, PRO200A, PRO200B, PRO306A, PRO306B, PRO356A, PRO356B, SER113A, SER113B, SER139A, SER139B, SER156A, SER156B, SER169A, SER169B, SER193A, SER193B, SER194A, SER194B, SER202A, SER202B, SER206A, SER206B, SER323A, SER323B, THR105A, THR105B, THR137A, THR137B, THR186A, THR186B, THR203A, THR203B, THR237A, THR237B, THR314A, THR351A, THR351B, THR354A, TRP165A, TRP165B, TRP244A, TRP244B, TRP260A, TRP260B, TYR125A, TYR125B, TYR160A, TYR160B, TYR246A, TYR246B, TYR321A, TYR321B, VAL107A, VAL107B, VAL116A, VAL116B, VAL185A, VAL185B, VAL201A, VAL201B, VAL228A, VAL228B, VAL293A, VAL293B, VAL322A, VAL322B, VAL330A, VAL330B, VAL413A, VAL413B
• A-D: ALA247A, ALA247D, ALA249A, ALA249D, ALA254A, ALA254D, ALA264A, ALA265A, ALA265D, ALA269A, ALA274A, ALA278A, ALA282A, ARG211D, ARG212D, ARG251A, ARG251D, ARG256A, ARG256D, ARG261A, ARG261D, ASN18A, ASN18D, ASP285A, GLN215A, GLN215D, GLN22D, GLN262A, GLN262D, GLN280A, GLN281A, GLU207D, GLU219A, GLU219D, GLU250A, GLU250D, GLU252A, GLU252D, GLU270A, GLU279A, GLY19A, GLY19D, GLY255A, GLY255D, GLY275A, HIS220A, ILE214D, ILE266A, ILE266D, LEU17D, LEU218A, LEU218D, LEU248A, LEU248D, LYS263A, LYS268A, LYS277A, LYS287A, LYS287D, PHE253A, PHE253D, PHE258A, SER267A, THR259A, TYR216A, TYR216D, TYR246A, VAL20A, VAL20D, VAL257A, VAL257D
• C-D: ALA117C, ALA117D, ALA161C, ALA161D, ALA167C, ALA167D, ALA172C, ALA172D, ALA195C, ALA195D, ALA295C, ALA295D, ALA325C, ALA325D, ALA327C, ALA327D, ALA328C, ALA328D, ALA355C, ALA355D, ALA359C, ALA359D, ALA407C, ALA407D, ALA408C, ALA408D, ARG112C, ARG112D, ARG119C, ARG119D, ARG129C, ARG129D, ARG142C, ARG142D, ARG153C, ARG153D, ARG177C, ARG177D, ARG180C, ARG180D, ARG189C, ARG189D, ARG208C, ARG208D, ARG242C, ARG242D, ARG305C, ARG305D, ARG410C, ARG410D, ASN115C, ASN115D, ASN155C, ASN155D, ASN232C, ASN232D, ASN297C, ASN297D, ASN316C, ASN316D, ASN318C, ASN318D, ASP121C, ASP121D, ASP123C, ASP123D, ASP158C, ASP158D, ASP192C, ASP192D, ASP243C, ASP243D, ASP292C, ASP292D, ASP296C, ASP296D, ASP320C, ASP320D, ASP324C, ASP324D, ASP357C, ASP357D, ASP405C, ASP405D, ASP412C, GLN120C, GLN120D, GLN276C, GLN276D, GLN300C, GLN300D, GLN301C, GLN301D, GLN361C, GLN361D, GLU104C, GLU104D, GLU154C, GLU154D, GLU157C, GLU157D, GLU164C, GLU164D, GLU171C, GLU171D, GLU173C, GLU173D, GLU181C, GLU181D, GLU182C, GLU182D, GLU204C, GLU204D, GLU207C, GLU207D, GLU238C, GLU238D, GLU307C, GLU307D, GLU329C, GLU329D, GLY108C, GLY108D, GLY109C, GLY109D, GLY110C, GLY110D, GLY162C, GLY162D, GLY168C, GLY168D, GLY184C, GLY184D, GLY197C, GLY197D, GLY205C, GLY205D, GLY231C, GLY231D, GLY239C, GLY239D, GLY240C, GLY240D, GLY319C, GLY319D, GLY331C, GLY331D, GLY332C, GLY332D, GLY334C, GLY334D, GLY353C, GLY353D, GLY360C, GLY360D, GLY404C, GLY404D, GLY411C, GLY411D, HIS143C, HIS143D, HIS229C, HIS229D, HIS352C, HIS352D, ILE111C, ILE111D, ILE159C, ILE159D, ILE163C, ILE163D, ILE175C, ILE175D, ILE176C, ILE176D, ILE188C, ILE188D, ILE196C, ILE196D, ILE198C, ILE198D, ILE233C, ILE233D, ILE294C, ILE294D, ILE302C, ILE302D, ILE333C, ILE333D, ILE358C, ILE358D, LEU103C, LEU103D, LEU114C, LEU114D, LEU122C, LEU122D, LEU124C, LEU124D, LEU179C, LEU179D, LEU209C, LEU209D, LEU299C, LEU299D, LEU303C, LEU303D, LEU304C, LEU304D, LEU315C, LEU315D, LEU317C, LEU317D, LEU326C, LEU326D, LEU406C, LEU406D, LEU409C, LEU409D, LYS146C, LYS146D, LYS174C, LYS174D, LYS187C, LYS187D, LYS199C, LYS199D, LYS230C, LYS230D, LYS235C, LYS235D, LYS272C, LYS272D, MET141C, MET141D, MET183C, MET183D, MET234C, MET234D, MET335C, MET335D, PHE178C, PHE178D, PHE190C, PHE190D, PHE236C, PHE236D, PHE241C, PHE241D, PHE298C, PHE298D, PRO106C, PRO106D, PRO138C, PRO138D, PRO140C, PRO140D, PRO144C, PRO144D, PRO166C, PRO166D, PRO170C, PRO170D, PRO191C, PRO191D, PRO200C, PRO200D, PRO306C, PRO306D, PRO356C, PRO356D, SER113C, SER113D, SER139C, SER139D, SER156C, SER156D, SER169C, SER169D, SER193C, SER193D, SER194C, SER194D, SER202C, SER202D, SER206C, SER206D, SER323C, SER323D, THR105C, THR105D, THR137C, THR137D, THR186C, THR186D, THR203C, THR203D, THR237C, THR237D, THR314C, THR314D, THR351C, THR351D, THR354D, TRP165C, TRP165D, TRP244C, TRP244D, TRP260C, TRP260D, TYR125C, TYR125D, TYR160C, TYR160D, TYR246C, TYR246D, TYR321C, TYR321D, VAL107C, VAL107D, VAL116C, VAL116D, VAL185C, VAL185D, VAL201C, VAL201D, VAL228C, VAL228D, VAL293C, VAL293D, VAL322C, VAL322D, VAL330C, VAL330D