1WZ8

crystal structure of probable enoyl-coa dehydratase from thermus thermophilus hb8

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 71
  • Norm. En. per Res.: -4.8851
• Hub Node: A(4)

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	-81.828	-35.429	-395.435	-512.692	130	15	18	16728	4	42	42
A-C	-107.5412	-40.5972	-406.278	-554.4164	131	14	19	16820	4	42	41
A-D	-66.2238	-152.3422	-125.819	-344.3849	81	9	0	4976	12	54	49
A-E	0.0	-16.2072	-153.884	-170.0912	66	2	13	6975	0	14	19
B-C	-86.3189	-30.288	-403.048	-519.6549	131	14	18	17039	5	42	42
B-D	0.0	-25.5183	-161.155	-186.6733	67	3	13	7097	2	13	19
B-F	-62.9375	-150.4449	-133.46	-346.8425	71	18	0	4935	16	52	49
C-E	-80.7966	-157.4675	-132.839	-371.103	83	12	0	5168	12	54	52
C-F	0.0	-21.6232	-154.713	-176.3362	65	2	13	7034	0	12	19
D-E	-75.4273	-38.9271	-398.741	-513.0954	129	17	19	16748	4	42	41
D-F	-111.21	-36.6495	-407.626	-555.4855	129	17	18	17244	6	42	42
E-F	-91.6937	-41.0722	-401.614	-534.3799	129	15	19	16720	4	42	42

Interface residues

• A-B: ALA125A, ALA126A, ALA129A, ALA147B, ALA148B, ALA152B, ALA163B, ALA165B, ALA180A, ALA187A, ALA189A, ALA199A, ALA203A, ALA207A, ALA213A, ALA220A, ALA237B, ARG105A, ARG143B, ARG182A, ARG182B, ARG205A, ARG226A, ARG226B, ARG56A, ASN172B, ASN222A, ASP127A, ASP139B, GLN208A, GLU173B, GLU181A, GLU201A, GLU204A, GLU212A, GLU233B, GLU239B, GLU247B, GLU250B, GLU262B, GLY145B, GLY149B, GLY161A, GLY161B, GLY184A, GLY209A, GLY242B, GLY245B, GLY251B, HIS141B, HIS151B, HIS168B, HIS215A, HIS216A, HIS219A, HIS223A, HIS231B, ILE128A, LEU101A, LEU124A, LEU138B, LEU142B, LEU144B, LEU154B, LEU155A, LEU155B, LEU158A, LEU158B, LEU159A, LEU159B, LEU169B, LEU170B, LEU171B, LEU183A, LEU183B, LEU185A, LEU188A, LEU206A, LEU214A, LEU221A, LEU229B, LEU234B, LEU236B, LEU238B, LEU241B, LEU248B, LYS164B, LYS166B, LYS198A, LYS211A, LYS218A, LYS246B, MET162A, MET162B, PHE228A, PHE228B, PHE232B, PHE243B, PHE263B, PRO100A, PRO106A, PRO157A, PRO157B, PRO174B, PRO210A, PRO230B, PRO260B, PRO261B, PRO264B, SER227A, SER227B, SER235B, SER244B, THR217A, TRP156A, TRP156B, TRP224A, TRP224B, TYR167B, TYR225A, TYR225B, VAL107A, VAL108A, VAL130A, VAL146B, VAL153B, VAL160A, VAL160B, VAL186A, VAL202A
• A-C: ALA125C, ALA126C, ALA129C, ALA147A, ALA148A, ALA152A, ALA163A, ALA165A, ALA180C, ALA187C, ALA189C, ALA199C, ALA203C, ALA207C, ALA213C, ALA220C, ALA237A, ARG105C, ARG143A, ARG182A, ARG182C, ARG205C, ARG226A, ARG226C, ARG56C, ASN172A, ASN222C, ASP127C, ASP139A, GLN208C, GLU173A, GLU181C, GLU201C, GLU204C, GLU212C, GLU233A, GLU239A, GLU247A, GLU250A, GLU262A, GLY145A, GLY149A, GLY161A, GLY161C, GLY184C, GLY209C, GLY242A, GLY245A, GLY251A, HIS141A, HIS151A, HIS168A, HIS215C, HIS216C, HIS219C, HIS223C, HIS231A, ILE128C, LEU101C, LEU124C, LEU138A, LEU142A, LEU144A, LEU154A, LEU155A, LEU155C, LEU158A, LEU158C, LEU159A, LEU159C, LEU169A, LEU170A, LEU171A, LEU183A, LEU183C, LEU185C, LEU188C, LEU206C, LEU214C, LEU221C, LEU229A, LEU234A, LEU236A, LEU238A, LEU241A, LEU248A, LYS164A, LYS166A, LYS198C, LYS211C, LYS218C, LYS246A, MET162A, MET162C, PHE228A, PHE228C, PHE232A, PHE243A, PHE263A, PRO100C, PRO106C, PRO157A, PRO157C, PRO174A, PRO210C, PRO230A, PRO260A, PRO261A, PRO264A, SER227A, SER227C, SER235A, SER244A, THR217C, TRP156A, TRP156C, TRP224A, TRP224C, TYR167A, TYR225A, TYR225C, VAL107C, VAL108C, VAL130C, VAL146A, VAL153A, VAL160A, VAL160C, VAL186C, VAL190C, VAL202C
• A-D: ALA213A, ALA213D, ALA220A, ALA220D, ALA51A, ALA51D, ARG105D, ARG226A, ARG226D, ARG40D, ARG44A, ARG44D, ARG47A, ARG47D, ARG88A, ARG88D, ARG8A, ARG8D, ARG94A, ARG94D, ASN102A, ASN102D, ASN222A, ASN222D, ASP48A, ASP48D, ASP95A, ASP95D, GLU212A, GLU212D, GLU233A, GLU233D, GLU50A, GLU50D, GLU53D, GLU84A, GLU84D, HIS215A, HIS215D, HIS216A, HIS216D, HIS219A, HIS219D, HIS223A, HIS223D, HIS231A, HIS231D, HIS83A, HIS83D, LEU229A, LEU229D, LEU234A, LEU234D, LEU236A, LEU236D, LEU49A, LEU87A, LEU87D, LEU98A, LEU98D, LYS211D, PHE228A, PHE228D, PHE232A, PHE232D, PHE90A, PHE90D, PRO104A, PRO104D, PRO230A, PRO230D, SER227A, SER227D, THR217A, THR217D, TRP224A, TRP224D, TRP46A, TRP91A, TRP91D, VAL52A
• A-E: ALA237A, ALA237E, ARG94A, ARG94E, GLU233A, GLU233E, GLU239A, GLU239E, GLU247A, GLU247E, GLU249A, GLU84A, GLU84E, GLY242A, GLY242E, GLY245A, GLY245E, HIS231A, HIS231E, HIS83A, HIS83E, LEU229A, LEU229E, LEU234A, LEU234E, LEU236A, LEU236E, LEU238A, LEU238E, LEU241A, LEU241E, LEU248A, LEU248E, LEU86A, LEU86E, LEU87A, LEU87E, LYS246A, LYS246E, PHE228A, PHE228E, PHE232A, PHE232E, PHE240A, PHE240E, PHE243A, PHE243E, PHE90A, PHE90E, PRO230A, PRO230E, PRO264A, PRO264E, SER227A, SER227E, SER235A, SER235E, SER244A, SER244E, SER82A, SER82E, TRP91A, TRP91E, VAL146A, VAL146E, VAL153A
• B-C: ALA125B, ALA126B, ALA129B, ALA147C, ALA148C, ALA152C, ALA163C, ALA165C, ALA180B, ALA187B, ALA189B, ALA203B, ALA207B, ALA213B, ALA220B, ALA237C, ARG105B, ARG143C, ARG182B, ARG182C, ARG205B, ARG226B, ARG226C, ARG56B, ASN172C, ASN222B, ASP127B, ASP139C, GLN208B, GLU173C, GLU178B, GLU181B, GLU201B, GLU204B, GLU212B, GLU233C, GLU239C, GLU247C, GLU250C, GLU262C, GLY145C, GLY149C, GLY161B, GLY161C, GLY184B, GLY209B, GLY242C, GLY245C, GLY251C, HIS141C, HIS151C, HIS168C, HIS215B, HIS216B, HIS219B, HIS223B, HIS231C, ILE128B, LEU101B, LEU124B, LEU138C, LEU142C, LEU144C, LEU154C, LEU155B, LEU155C, LEU158B, LEU158C, LEU159B, LEU159C, LEU169C, LEU170C, LEU171C, LEU183B, LEU183C, LEU185B, LEU188B, LEU206B, LEU214B, LEU221B, LEU229C, LEU234C, LEU236C, LEU238C, LEU241C, LEU248C, LYS164C, LYS166C, LYS198B, LYS211B, LYS218B, LYS246C, MET162B, MET162C, PHE228B, PHE228C, PHE232C, PHE243C, PHE263C, PRO100B, PRO106B, PRO157B, PRO157C, PRO174C, PRO210B, PRO230C, PRO260C, PRO261C, PRO264C, SER227B, SER227C, SER235C, SER244C, THR217B, TRP156B, TRP156C, TRP224B, TRP224C, TYR167C, TYR225B, TYR225C, VAL107B, VAL108B, VAL130B, VAL146C, VAL153C, VAL160B, VAL160C, VAL186B, VAL190B, VAL202B
• B-D: ALA237B, ALA237D, ARG94B, ARG94D, GLU233B, GLU233D, GLU239B, GLU239D, GLU247B, GLU247D, GLU249B, GLU84B, GLU84D, GLY242B, GLY242D, GLY245B, GLY245D, HIS231B, HIS231D, HIS83B, HIS83D, LEU229B, LEU229D, LEU234B, LEU234D, LEU236B, LEU236D, LEU238B, LEU238D, LEU241B, LEU241D, LEU248B, LEU248D, LEU86B, LEU86D, LEU87B, LEU87D, LYS246B, LYS246D, PHE228B, PHE228D, PHE232B, PHE232D, PHE240B, PHE240D, PHE243B, PHE243D, PHE90B, PHE90D, PRO230B, PRO230D, PRO264B, PRO264D, SER227B, SER227D, SER235B, SER235D, SER244B, SER244D, SER82B, SER82D, TRP91B, TRP91D, VAL146B, VAL146D, VAL153B, VAL153D
• B-F: ALA213B, ALA213F, ALA220B, ALA220F, ALA51B, ALA51F, ARG226B, ARG226F, ARG44B, ARG44F, ARG47B, ARG47F, ARG88B, ARG88F, ARG8B, ARG94B, ARG94F, ASN102B, ASN102F, ASN222B, ASN222F, ASP48B, GLU212B, GLU212F, GLU233B, GLU233F, GLU50B, GLU50F, GLU84B, GLU84F, GLY99B, HIS215B, HIS215F, HIS216B, HIS216F, HIS219B, HIS219F, HIS223B, HIS223F, HIS231B, HIS231F, HIS83B, HIS83F, LEU229B, LEU229F, LEU234B, LEU234F, LEU49B, LEU87B, LEU87F, LEU98B, LEU98F, PHE103B, PHE228B, PHE228F, PHE232B, PHE232F, PHE90B, PHE90F, PRO104B, PRO104F, PRO230B, PRO230F, SER227B, SER227F, TRP224B, TRP224F, TRP46B, TRP91B, TRP91F, VAL45B
• C-E: ALA213C, ALA213E, ALA220C, ALA220E, ALA51C, ALA51E, ARG105C, ARG105E, ARG226C, ARG226E, ARG44C, ARG44E, ARG47C, ARG47E, ARG88C, ARG88E, ARG8C, ARG8E, ARG94C, ARG94E, ASN102C, ASN102E, ASN222C, ASN222E, ASP48C, ASP48E, ASP95C, ASP95E, GLU212C, GLU212E, GLU233C, GLU233E, GLU50C, GLU50E, GLU84C, GLU84E, HIS215C, HIS215E, HIS216C, HIS216E, HIS219C, HIS219E, HIS223C, HIS223E, HIS231C, HIS231E, HIS83C, HIS83E, LEU229C, LEU229E, LEU234C, LEU234E, LEU236C, LEU236E, LEU49C, LEU87C, LEU87E, LEU98C, LEU98E, LYS211C, PHE228C, PHE228E, PHE232C, PHE232E, PHE90C, PHE90E, PRO104C, PRO104E, PRO230C, PRO230E, SER227C, SER227E, THR217C, THR217E, TRP224C, TRP224E, TRP46C, TRP46E, TRP91C, TRP91E, TYR9C, VAL45C, VAL52C
• C-F: ALA237C, ALA237F, ARG94C, ARG94F, GLU233C, GLU233F, GLU239C, GLU239F, GLU247C, GLU247F, GLU84C, GLU84F, GLY242C, GLY242F, GLY245C, GLY245F, HIS231C, HIS231F, HIS83C, HIS83F, LEU229C, LEU229F, LEU234C, LEU234F, LEU236C, LEU236F, LEU238C, LEU238F, LEU241C, LEU241F, LEU248C, LEU248F, LEU86C, LEU86F, LEU87C, LEU87F, LYS246C, LYS246F, PHE228C, PHE228F, PHE232C, PHE232F, PHE240C, PHE240F, PHE243C, PHE243F, PHE90C, PHE90F, PRO230C, PRO230F, PRO264C, SER227C, SER227F, SER235C, SER235F, SER244C, SER244F, SER82C, SER82F, TRP91C, TRP91F, VAL146C, VAL146F, VAL153C, VAL153F
• D-E: ALA125D, ALA126D, ALA129D, ALA147E, ALA148E, ALA152E, ALA163E, ALA165E, ALA180D, ALA187D, ALA189D, ALA203D, ALA207D, ALA213D, ALA220D, ALA237E, ARG105D, ARG143E, ARG182D, ARG182E, ARG205D, ARG226D, ARG56D, ASN172E, ASN222D, ASP127D, ASP139E, GLN208D, GLU173E, GLU181D, GLU201D, GLU204D, GLU212D, GLU233E, GLU239E, GLU247E, GLU250E, GLU262E, GLY145E, GLY149E, GLY161D, GLY161E, GLY184D, GLY209D, GLY242E, GLY245E, GLY251E, HIS141E, HIS151E, HIS168E, HIS215D, HIS216D, HIS219D, HIS223D, HIS231E, ILE128D, LEU101D, LEU124D, LEU138E, LEU142E, LEU144E, LEU154D, LEU154E, LEU155D, LEU155E, LEU158D, LEU158E, LEU159D, LEU159E, LEU169E, LEU170E, LEU171E, LEU183D, LEU183E, LEU185D, LEU188D, LEU206D, LEU214D, LEU221D, LEU229E, LEU234E, LEU236E, LEU238E, LEU241E, LEU248E, LYS164E, LYS166E, LYS198D, LYS211D, LYS218D, LYS246E, MET162D, MET162E, PHE228D, PHE228E, PHE232E, PHE243E, PHE263E, PRO100D, PRO106D, PRO157D, PRO157E, PRO174E, PRO210D, PRO230E, PRO260E, PRO261E, PRO264E, SER227D, SER227E, SER235E, SER244E, THR217D, TRP156D, TRP156E, TRP224D, TRP224E, TYR167E, TYR225D, TYR225E, VAL107D, VAL108D, VAL130D, VAL146E, VAL153E, VAL160D, VAL160E, VAL186D, VAL202D
• D-F: ALA125F, ALA126F, ALA129F, ALA147D, ALA148D, ALA152D, ALA163D, ALA165D, ALA180F, ALA187F, ALA189F, ALA203F, ALA207F, ALA213F, ALA220F, ALA237D, ARG105F, ARG143D, ARG182D, ARG182F, ARG205F, ARG226F, ARG56F, ASN172D, ASN222F, ASP127F, ASP139D, GLN208F, GLU173D, GLU178F, GLU181F, GLU201F, GLU204F, GLU212F, GLU233D, GLU239D, GLU247D, GLU250D, GLU262D, GLY145D, GLY149D, GLY161D, GLY161F, GLY184F, GLY209F, GLY242D, GLY245D, GLY251D, HIS141D, HIS151D, HIS168D, HIS215F, HIS216F, HIS219F, HIS223F, HIS231D, ILE128F, LEU101F, LEU124F, LEU138D, LEU142D, LEU144D, LEU154D, LEU155D, LEU155F, LEU158D, LEU158F, LEU159D, LEU159F, LEU169D, LEU170D, LEU171D, LEU183D, LEU183F, LEU185F, LEU188F, LEU206F, LEU214F, LEU221F, LEU229D, LEU234D, LEU236D, LEU238D, LEU241D, LEU248D, LYS164D, LYS166D, LYS198F, LYS211F, LYS218F, LYS246D, MET162D, MET162F, PHE228D, PHE228F, PHE232D, PHE243D, PHE263D, PRO100F, PRO106F, PRO157D, PRO157F, PRO174D, PRO210F, PRO230D, PRO260D, PRO261D, PRO264D, SER227D, SER227F, SER235D, SER244D, THR217F, TRP156D, TRP156F, TRP224D, TRP224F, TYR167D, TYR225D, TYR225F, VAL107F, VAL108F, VAL130F, VAL146D, VAL153D, VAL160D, VAL160F, VAL186F, VAL202F
• E-F: ALA125E, ALA126E, ALA129E, ALA147F, ALA148F, ALA152F, ALA163F, ALA165F, ALA180E, ALA187E, ALA189E, ALA199E, ALA203E, ALA207E, ALA213E, ALA220E, ALA237F, ARG105E, ARG143F, ARG182E, ARG182F, ARG205E, ARG226E, ARG226F, ARG56E, ASN172F, ASN222E, ASP127E, ASP139F, GLN208E, GLU173F, GLU181E, GLU201E, GLU204E, GLU212E, GLU233F, GLU239F, GLU247F, GLU250F, GLU262F, GLY145F, GLY149F, GLY161E, GLY161F, GLY184E, GLY209E, GLY242F, GLY245F, GLY251F, HIS141F, HIS151F, HIS168F, HIS215E, HIS216E, HIS219E, HIS223E, HIS231F, ILE128E, LEU101E, LEU124E, LEU142F, LEU144F, LEU154F, LEU155E, LEU155F, LEU158E, LEU158F, LEU159E, LEU159F, LEU169F, LEU170F, LEU171F, LEU183E, LEU183F, LEU185E, LEU188E, LEU206E, LEU214E, LEU221E, LEU229F, LEU234F, LEU236F, LEU238F, LEU241F, LEU248F, LYS164F, LYS166F, LYS198E, LYS211E, LYS218E, LYS246F, MET162E, MET162F, PHE228E, PHE228F, PHE232F, PHE243F, PHE263F, PRO100E, PRO106E, PRO157E, PRO157F, PRO174F, PRO210E, PRO230F, PRO260F, PRO261F, PRO264F, SER227E, SER227F, SER235F, SER244F, THR217E, TRP156E, TRP156F, TRP224E, TRP224F, TYR167F, TYR225E, TYR225F, VAL107E, VAL108E, VAL130E, VAL146F, VAL153F, VAL160E, VAL160F, VAL186E, VAL202E