3SWO

crystal structure of a glutaryl-coa dehydrogenase from mycobacterium smegmatis in complex with fadh2

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 187
  • Norm. En. per Res.: -4.5738
• 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	-22.1632	39.9845	-55.1474	-37.3261	28	3	0	1889	0	2	7
A-C	-119.9623	-101.6506	-597.872	-819.4849	182	16	29	25652	10	47	54
A-D	-128.9863	-151.5995	-513.441	-794.0268	184	17	10	20875	14	64	53
B-C	-129.4995	-203.1087	-522.689	-855.2973	187	19	10	20727	17	64	52
B-D	-118.4379	-63.9896	-588.839	-771.2665	181	15	29	25597	6	45	51
C-D	-21.3952	40.2161	-53.2054	-34.3845	25	3	0	1875	0	2	7

Interface residues

• A-B: ARG396A, ARG396B, ASN289A, ASN289B, ASN299A, ASN299B, GLN291A, GLN291B, GLN294A, GLN294B, GLU295A, GLU295B, LEU287A, LEU287B, LEU292A, LEU292B, LYS285A, LYS285B, LYS296A, LYS296B, PHE283A, PHE283B, THR293A, THR293B, TYR290A, TYR290B, VAL282A, VAL282B
• A-C: ALA13A, ALA13C, ALA275C, ALA298A, ALA298C, ALA311A, ALA311C, ALA320A, ALA320C, ALA388A, ALA388C, ALA393A, ALA393C, ALA394A, ALA394C, ARG22A, ARG22C, ARG316A, ARG316C, ARG324A, ARG324C, ARG337A, ARG337C, ARG396A, ARG396C, ASN289A, ASN289C, ASN299A, ASN299C, ASN334A, ASN334C, ASN335A, ASN335C, ASP19A, ASP19C, ASP21A, ASP21C, ASP319A, ASP319C, CB9.817904.57467, GLN278A, GLN278C, GLN291A, GLN291C, GLN294A, GLN294C, GLN327A, GLN327C, GLU16A, GLU16C, GLU271A, GLU271C, GLU295A, GLU295C, GLU303A, GLU303C, GLU321A, GLU321C, GLU326A, GLU326C, GLU338A, GLU338C, GLU379A, GLU379C, GLY305A, GLY305C, GLY307A, GLY307C, GLY322A, GLY322C, GLY331A, GLY331C, GLY386A, GLY386C, GLY391A, GLY391C, HIS313A, HIS313C, HIS381A, HIS381C, ILE274A, ILE274C, ILE312A, ILE312C, ILE317A, ILE317C, ILE328A, ILE328C, ILE385A, ILE385C, LEU15A, LEU15C, LEU17A, LEU17C, LEU23A, LEU23C, LEU24A, LEU24C, LEU270A, LEU270C, LEU287A, LEU287C, LEU292A, LEU292C, LEU297A, LEU297C, LEU304A, LEU304C, LEU309A, LEU309C, LEU310A, LEU310C, LEU314A, LEU314C, LEU330A, LEU330C, LEU333A, LEU333C, LEU382A, LEU382C, LEU383A, LEU383C, LEU389A, LEU389C, LYS285A, LYS285C, LYS296A, LYS296C, LYS306A, LYS306C, LYS318A, LYS318C, LYS387A, LYS387C, LYS392A, LYS392C, LYS9A, LYS9A5, MET300A, MET300C, MET308A, MET308C, MET380A, MET380C, PHE18A, PHE18C, PHE395A, PHE395C, PRO14A, PRO14C, PRO286A, PRO286C, PRO325A, PRO325C, SER10A, SER288A, SER288C, SER329A, SER329C, SER378A, SER384A, SER384C, THR11A, THR11C, THR20A, THR20C, THR277A, THR277C, THR293A, THR293C, THR301A, THR301C, THR390A, THR390C, TYR12A, TYR12C, TYR290A, TYR290C, VAL302A, VAL302C, VAL323A, VAL323C
• A-D: ALA153A, ALA153D, ALA341A, ALA341D, ALA343A, ALA343D, ALA365A, ALA365D, ALA394A, ALA394D, ALA54A, ALA54D, ARG213A, ARG213D, ARG218A, ARG218D, ARG280A, ARG280D, ARG337A, ARG337D, ARG344A, ARG344D, ARG347A, ARG347D, ARG363A, ARG363D, ARG396A, ARG396D, ASN151A, ASN151D, ASN366A, ASN366D, ASN367A, ASN367D, ASN46A, ASN46D, ASP147A, ASP147D, ASP284A, ASP284D, GLN291A, GLN291D, GLU145A, GLU145D, GLU281A, GLU281D, GLU295A, GLU295D, GLU345A, GLU345D, GLU358A, GLU358D, GLU369A, GLU369D, GLU379A, GLU379D, GLU48A, GLU48D, GLU52A, GLU52D, GLY149A, GLY149D, GLY154A, GLY154D, GLY351A, GLY351D, GLY352A, GLY352D, GLY354A, GLY354D, GLY49A, GLY49D, HIS212A, HIS212D, HIS364A, HIS364D, ILE211A, ILE211D, ILE340A, ILE340D, ILE355A, ILE355D, LEU215A, LEU215D, LEU217A, LEU217D, LEU244A, LEU244D, LEU287A, LEU287D, LEU292A, LEU292D, LEU349A, LEU349D, LEU350A, LEU350D, LEU357A, LEU357D, LEU362A, LEU362D, LEU368A, LEU368D, LEU372A, LEU372D, LEU382A, LEU382D, LEU383A, LEU383D, LYS214A, LYS214D, LYS285A, LYS285D, LYS296A, LYS296D, MET173A, MET173D, MET380A, MET380D, PHE148A, PHE148D, PHE283A, PHE283D, PHE395A, PHE395D, PHE51A, PHE51D, PRO146A, PRO146D, PRO152A, PRO152D, PRO361A, PRO361D, PRO45A, PRO45D, SER150A, SER150D, SER216A, SER216D, SER220A, SER220D, SER353A, SER353D, SER360A, SER360D, SER370A, SER370D, SER378A, SER378D, SER53A, SER53D, THR144A, THR144D, THR222A, THR222D, THR293A, THR293D, THR348A, THR348D, THR356A, THR356D, THR373A, THR373D, THR377A, THR377D, TRP174A, TRP174D, TRP50A, TRP50D, TYR276A, TYR276D, TYR290A, TYR290D, TYR359A, TYR359D, TYR374A, TYR374D, VAL282A, VAL282D, VAL336A, VAL336D, VAL371A, VAL371D, VAL47A, VAL47D
• B-C: ALA153B, ALA153C, ALA341B, ALA341C, ALA343B, ALA343C, ALA365B, ALA365C, ALA394B, ALA394C, ALA54B, ALA54C, ARG156B, ARG156C, ARG213B, ARG213C, ARG218B, ARG218C, ARG280B, ARG280C, ARG337B, ARG337C, ARG344B, ARG344C, ARG347B, ARG347C, ARG363B, ARG363C, ARG396B, ARG396C, ASN151B, ASN151C, ASN366B, ASN366C, ASN367B, ASN367C, ASN46B, ASN46C, ASP147B, ASP147C, ASP284B, ASP284C, CYS346B, GLN291B, GLN291C, GLU145B, GLU145C, GLU281B, GLU281C, GLU295B, GLU295C, GLU345B, GLU345C, GLU358B, GLU358C, GLU369B, GLU369C, GLU379B, GLU379C, GLU48B, GLU48C, GLU52B, GLU52C, GLY149B, GLY149C, GLY154B, GLY154C, GLY351B, GLY351C, GLY352B, GLY352C, GLY354B, GLY354C, GLY49B, GLY49C, HIS212B, HIS212C, HIS364B, HIS364C, ILE211B, ILE211C, ILE340B, ILE340C, ILE355B, ILE355C, LEU215B, LEU215C, LEU217B, LEU217C, LEU244B, LEU244C, LEU287B, LEU287C, LEU292B, LEU292C, LEU349B, LEU349C, LEU350B, LEU350C, LEU357B, LEU357C, LEU362B, LEU362C, LEU368B, LEU368C, LEU372B, LEU372C, LEU382B, LEU382C, LEU383B, LEU383C, LYS214B, LYS214C, LYS285B, LYS285C, LYS296B, LYS296C, MET173B, MET173C, MET380B, MET380C, PHE148B, PHE148C, PHE283B, PHE283C, PHE395B, PHE395C, PHE51B, PHE51C, PRO146B, PRO146C, PRO152B, PRO152C, PRO361B, PRO361C, PRO45B, PRO45C, SER150B, SER150C, SER216B, SER216C, SER220B, SER220C, SER353B, SER353C, SER360B, SER360C, SER370B, SER370C, SER378B, SER378C, SER53B, SER53C, THR144B, THR144C, THR222B, THR222C, THR293B, THR293C, THR348B, THR348C, THR356B, THR356C, THR373B, THR373C, THR377B, THR377C, TRP174B, TRP174C, TRP50B, TRP50C, TYR276B, TYR276C, TYR290B, TYR290C, TYR359B, TYR359C, TYR374B, TYR374C, VAL282B, VAL282C, VAL336B, VAL336C, VAL371B, VAL371C, VAL47B, VAL47C
• B-D: ALA13B, ALA13D, ALA275D, ALA298B, ALA298D, ALA311B, ALA311D, ALA320B, ALA320D, ALA388B, ALA388D, ALA393B, ALA393D, ALA394B, ALA394D, ARG22B, ARG22D, ARG316B, ARG316D, ARG324B, ARG324D, ARG337B, ARG337D, ARG396B, ARG396D, ASN289B, ASN289D, ASN299B, ASN299D, ASN334B, ASN334D, ASN335B, ASN335D, ASP19B, ASP19D, ASP21B, ASP21D, ASP319B, ASP319D, GLN278B, GLN278D, GLN291B, GLN291D, GLN294B, GLN294D, GLN327B, GLN327D, GLU16B, GLU16D, GLU271B, GLU271D, GLU295B, GLU295D, GLU303B, GLU303D, GLU321B, GLU321D, GLU326B, GLU326D, GLU338B, GLU338D, GLU379B, GLU379D, GLY305B, GLY305D, GLY307B, GLY307D, GLY315B, GLY315D, GLY322B, GLY322D, GLY331B, GLY331D, GLY386B, GLY386D, GLY391B, GLY391D, HIS313B, HIS313D, HIS381B, HIS381D, ILE274B, ILE274D, ILE312B, ILE312D, ILE317B, ILE317D, ILE328B, ILE328D, ILE385B, ILE385D, LEU15B, LEU15D, LEU17B, LEU17D, LEU23B, LEU23D, LEU24B, LEU24D, LEU270B, LEU270D, LEU287B, LEU287D, LEU292B, LEU292D, LEU297B, LEU297D, LEU304B, LEU304D, LEU309B, LEU309D, LEU310B, LEU310D, LEU314B, LEU314D, LEU330B, LEU330D, LEU333B, LEU333D, LEU382B, LEU382D, LEU383B, LEU383D, LEU389B, LEU389D, LYS285B, LYS285D, LYS296B, LYS296D, LYS306B, LYS306D, LYS318B, LYS318D, LYS387B, LYS387D, LYS392B, LYS392D, MET300B, MET300D, MET308B, MET308D, MET380B, MET380D, PHE18B, PHE18D, PHE395B, PHE395D, PRO14B, PRO14D, PRO286B, PRO286D, PRO325B, PRO325D, SER288B, SER288D, SER329B, SER329D, SER378B, SER378D, SER384B, SER384D, THR11B, THR11D, THR20B, THR20D, THR277B, THR277D, THR293B, THR293D, THR301B, THR301D, THR390B, THR390D, TYR12B, TYR12D, TYR290B, TYR290D, VAL302B, VAL302D, VAL323B, VAL323D
• C-D: ASN289C, ASN289D, ASN299C, ASN299D, GLN291C, GLN291D, GLN294C, GLN294D, GLU295C, GLU295D, LEU287C, LEU287D, LEU292C, LEU292D, LYS285D, LYS296C, LYS296D, PHE283C, PHE283D, THR293C, THR293D, TYR290C, TYR290D, VAL282C, VAL282D