3LCB

the crystal structure of isocitrate dehydrogenase kinase/phosphatase in complex with its substrate, isocitrate dehydrogenase, from escherichia coli.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 245
  • Norm. En. per Res.: -4.099
• Hub Node: B(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	-31.1725	-93.9341	-362.754	-487.8606	169	22	1	15548	13	52	40
B-C	-48.3622	-29.1778	-269.918	-347.458	130	29	6	11885	4	39	33
B-D	-8.9164	3.2405	-82.6921	-88.368	63	6	0	4256	5	19	19
C-D	-193.1222	30.3245	-841.454	-1004.2517	245	37	27	34181	4	104	82

Interface residues

• A-B: ALA10A, ALA10B, ALA140A, ALA140B, ALA19A, ALA19B, ALA261A, ALA261B, ALA31A, ALA31B, ARG133B, ARG137A, ARG137B, ARG155A, ARG155B, ARG163A, ARG163B, ARG23A, ARG23B, ARG34A, ARG34B, ARG66A, ARG66B, ARG95A, ARG95B, ASN198A, ASN198B, ASN49A, ASN70A, ASN70B, ASP142A, ASP142B, ASP159A, ASP159B, ASP18A, ASP18B, ASP92A, ASP92B, CYS67A, CYS67B, GLN11A, GLN11B, GLN15A, GLN15B, GLN20A, GLN20B, GLN32A, GLN32B, GLN33A, GLN33B, GLN37A, GLN37B, GLN64A, GLN64B, GLU199A, GLU199B, GLU26A, GLU26B, GLU36A, GLU36B, GLU63A, GLU63B, GLY16A, GLY16B, GLY22A, GLY22B, GLY30A, GLY30B, GLY4A, GLY59A, GLY59B, HIS147A, HIS56A, HIS56B, HIS57A, HIS57B, ILE135B, ILE13A, ILE13B, ILE157B, ILE68A, ILE68B, ILE9A, ILE9B, LEU139A, LEU139B, LEU14A, LEU14B, LEU160A, LEU160B, LEU162A, LEU162B, LEU200A, LEU200B, LEU25A, LEU25B, LEU263A, LEU263B, LEU53A, LEU5A, LEU5B, LEU60A, LEU60B, LEU65A, LEU65B, LEU7A, LEU7B, LEU89A, LEU89B, LEU8A, LEU8B, LEU90A, LEU90B, LYS141A, LYS141B, LYS169B, MET154B, PHE102A, PHE102B, PHE143A, PHE143B, PHE17A, PHE17B, PHE24B, PRO136A, PRO136B, PRO138A, PRO138B, PRO161A, PRO161B, PRO262A, PRO262B, PRO264A, PRO264B, PRO91A, PRO94A, PRO94B, SER151B, SER158A, SER158B, SER29A, SER29B, THR12A, THR12B, THR134B, THR28A, THR28B, THR69A, THR69B, TYR202A, TYR202B, TYR21A, TYR21B, TYR260A, TYR260B, TYR93A, TYR93B, VAL156A, VAL156B, VAL259A, VAL259B, VAL27A, VAL27B, VAL58A, VAL58B, VAL61A, VAL61B, VAL62A, VAL62B
• B-C: ALA117C, ALA161C, ALA315C, ALA323C, ALA337C, ALA342C, ALA343B, ALA501B, ALA524B, ALA86C, ARG112C, ARG129C, ARG319B, ARG395C, ARG488B, ARG519B, ARG527B, ASN115C, ASN352C, ASN423B, ASN462B, ASP307C, ASP311C, ASP35C, ASP392C, ASP457B, ASP489B, ASP498B, ASP512B, ASP525B, ASP81C, CYS523B, GLN120C, GLN345B, GLN76C, GLN80C, GLU121C, GLU347B, GLU427B, GLU478B, GLU497B, GLU499B, GLU503B, GLU516B, GLU517B, GLU72C, GLY108C, GLY109C, GLY110C, GLY162C, GLY321C, GLY340C, GLY34C, GLY36C, GLY456B, GLY511B, GLY529B, GLY71C, GLY79C, HIS339C, HIS520B, ILE111C, ILE318B, ILE320C, ILE322C, ILE37C, ILE424B, ILE438B, ILE490B, ILE528B, LEU103C, LEU114C, LEU118C, LEU396C, LEU422B, LEU426B, LEU434B, LEU459B, LEU500B, LEU522B, LEU84C, LYS166C, LYS344C, LYS346B, LYS350C, LYS461B, LYS73C, MET321B, MET348B, MET458B, PHE454B, PHE460B, PHE463B, PHE514B, PHE518B, PHE532B, PRO102C, PRO106C, PRO343C, PRO344B, PRO491B, PRO493B, PRO496B, PRO504B, PRO510B, PRO526B, SER113C, SER502B, SER507B, SER509B, THR104C, THR105C, THR338C, THR341C, THR75C, TRP425B, TRP505B, TRP521B, TRP83C, TYR345C, TYR391C, TYR506B, TYR78C, VAL107C, VAL116C, VAL351C, VAL41C, VAL508B, VAL513B, VAL82C
• B-D: ALA240D, ALA284D, ALA294D, ARG292D, ARG488B, ARG494B, ARG546B, ASN232D, ASN486B, ASP243D, ASP259D, ASP279D, ASP283D, ASP489B, ASP498B, ASP512B, GLN287D, GLN288D, GLN345B, GLU295D, GLU347B, GLU497B, GLU503B, GLY231D, GLY239D, GLY260D, GLY261D, HIS229D, ILE233D, ILE258D, ILE281D, LEU257D, LEU291D, LYS186D, LYS187D, LYS230D, LYS235D, LYS242D, LYS278D, LYS341B, LYS346B, PHE236D, PHE285D, PHE487B, PHE514B, PRO262D, PRO293D, PRO344B, PRO491B, PRO492B, PRO496B, PRO504B, PRO510B, SER507B, SER509B, TRP263D, TRP505B, TYR246D, TYR296D, TYR495B, TYR506B, VAL280D, VAL508B
• C-D: ALA161C, ALA161D, ALA167C, ALA167D, ALA170C, ALA170D, ALA172C, ALA172D, ALA240C, ALA240D, ALA282C, ALA282D, ALA284C, ALA284D, ALA312C, ALA312D, ALA314C, ALA314D, ALA315C, ALA315D, ALA323C, ALA323D, ARG119C, ARG119D, ARG129C, ARG153C, ARG153D, ARG180C, ARG180D, ARG189C, ARG189D, ARG208C, ARG208D, ARG292C, ARG292D, ARG395D, ASN155C, ASN232C, ASN232D, ASN303C, ASN303D, ASN305C, ASN305D, ASP123C, ASP123D, ASP158C, ASP158D, ASP168C, ASP168D, ASP171C, ASP171D, ASP243C, ASP283C, ASP283D, ASP307C, ASP307D, ASP311C, ASP311D, ASP330C, ASP330D, CYS194C, CYS194D, CYS201C, CYS201D, GLN120C, GLN120D, GLN287C, GLN287D, GLN288C, GLN288D, GLN316C, GLN316D, GLU154C, GLU154D, GLU157C, GLU157D, GLU164C, GLU164D, GLU173C, GLU173D, GLU181C, GLU182C, GLU182D, GLU192C, GLU192D, GLU203C, GLU203D, GLU204C, GLU204D, GLU238C, GLU238D, GLY108C, GLY108D, GLY109C, GLY109D, GLY136C, GLY162C, GLY162D, GLY184C, GLY184D, GLY195C, GLY195D, GLY197C, GLY197D, GLY205C, GLY205D, GLY231C, GLY231D, GLY239C, GLY239D, GLY306C, GLY306D, GLY318C, GLY318D, GLY319C, GLY319D, GLY321C, GLY321D, HIS143C, HIS143D, HIS193C, HIS193D, HIS229C, HIS229D, ILE159C, ILE159D, ILE163C, ILE163D, ILE176C, ILE176D, ILE188C, ILE188D, ILE196C, ILE196D, ILE198C, ILE198D, ILE233C, ILE233D, ILE281C, ILE281D, ILE289C, ILE289D, ILE309C, ILE309D, ILE320C, ILE320D, LEU179C, LEU179D, LEU286C, LEU286D, LEU290C, LEU290D, LEU291C, LEU291D, LEU304C, LEU304D, LEU313C, LEU313D, LEU396C, LEU396D, LYS142C, LYS142D, LYS166C, LYS166D, LYS174C, LYS174D, LYS177C, LYS177D, LYS186C, LYS186D, LYS187C, LYS187D, LYS199C, LYS199D, LYS207C, LYS207D, LYS230C, LYS230D, LYS235C, LYS235D, MET183C, MET183D, MET234C, MET234D, MET302C, MET302D, PHE178C, PHE178D, PHE190C, PHE190D, PHE236C, PHE236D, PHE241C, PHE285C, PHE285D, PRO138C, PRO138D, PRO140C, PRO140D, PRO144C, PRO144D, PRO191C, PRO191D, PRO200C, PRO200D, PRO293C, PRO293D, SER139C, SER139D, SER156C, SER156D, SER169C, SER169D, SER202C, SER202D, SER310C, SER310D, THR137C, THR137D, THR206C, THR206D, THR237C, THR237D, TRP165C, TRP165D, TRP244C, TRP244D, TYR125C, TYR125D, TYR133C, TYR133D, TYR160C, TYR160D, TYR308C, TYR308D, VAL141C, VAL141D, VAL175C, VAL175D, VAL185C, VAL185D, VAL228C, VAL228D, VAL317C, VAL317D