3S28

the crystal structure of sucrose synthase-1 in complex with a breakdown product of the udp-glucose

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 112
  • Norm. En. per Res.: -3.9342
• 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	-38.6348	-101.6466	-282.17	-422.4514	112	25	9	11285	11	70	57
A-D	-2.4537	-4.1663	-342.156	-348.776	132	34	12	14241	6	46	41
A-E	0.0	0.0	-0.03	-0.03	2	0	0	7	0	3	4
A-F	0.0	0.0	-3.5203	-3.5203	20	3	0	641	0	4	12
B-C	-3.1968	-16.2442	-346.022	-365.463	126	24	12	14070	5	46	41
B-E	-5.3351	0.0	-6.6809	-12.016	21	0	0	412	0	11	14
C-D	-43.23	-76.6463	-263.736	-383.6124	112	24	8	11120	8	63	58
C-G	0.0	0.0	-0.0723	-0.0723	3	0	0	11	0	2	4
C-H	-4.8842	0.9205	-11.6017	-15.5653	20	0	0	660	0	13	9
D-F	0.0	0.0	-12.1055	-12.1055	24	4	6	1128	0	4	10
D-G	0.0	2.9553	-14.8455	-11.8902	22	1	0	839	0	3	14
E-F	-45.088	-110.6551	-284.892	-440.6352	112	21	9	11188	12	64	58
E-H	-3.6845	-3.5263	-335.062	-342.2729	127	32	13	13723	6	46	42
F-G	-16.9744	-5.7359	-332.798	-355.5083	132	33	12	13791	6	44	40
G-H	-31.8227	-96.187	-269.209	-397.2187	108	19	9	10979	8	63	57

Interface residues

• A-B: ALA168A, ALA168B, ALA218A, ALA218B, ALA262A, ALA262B, ARG148A, ARG148B, ARG164A, ARG164B, ARG211A, ARG211B, ARG254A, ARG254B, ARG93A, ARG93B, ASN163A, ASN163B, ASP160A, ASP160B, ASP173A, ASP173B, ASP258A, ASP258B, ASP264A, ASP264B, CYS266A, CYS266B, GLN207A, GLN207B, GLU214A, GLU214B, GLU215A, GLU215B, GLU219A, GLU219B, GLU261A, GLU261B, HIS152A, HIS152B, HIS165A, HIS165B, HIS172A, HIS172B, HIS208A, HIS208B, ILE146A, ILE146B, ILE155B, ILE253A, ILE253B, LEU151A, LEU151B, LEU162A, LEU162B, LEU166A, LEU166B, LEU170A, LEU170B, LEU210A, LEU210B, LEU255A, LEU255B, LEU256A, LEU256B, LEU257A, LEU257B, LEU259A, LEU259B, LEU260A, LEU260B, LEU268A, LEU268B, LYS153A, LYS153B, LYS169A, LYS169B, LYS174A, LYS174B, LYS212A, LYS212B, LYS490A, LYS490B, PHE161A, PHE161B, PHE171A, PHE171B, PHE517A, PHE517B, PRO147A, PRO147B, PRO149A, PRO149B, PRO263A, PRO263B, PRO265A, PRO265B, PRO519A, PRO519B, PRO92A, PRO94A, PRO94B, SER167A, SER167B, THR150A, THR150B, THR267A, THR267B, TYR154A, TYR154B, VAL96A, VAL96B
• A-D: ALA115A, ALA115D, ALA144A, ALA144D, ALA397A, ALA397D, ALA426A, ALA426D, ALA783A, ALA783D, ALA792A, ALA792D, ARG509A, ARG509D, ARG780A, ARG780D, ARG784A, ARG784D, ARG785A, ARG785D, ARG796A, ARG796D, ASN130A, ASN130D, ASN132A, ASN132D, ASN143A, ASN143D, ASN777A, ASP138A, ASP138D, ASP395A, ASP395D, ASP779A, ASP779D, GLN113A, GLN800A, GLN800D, GLU136A, GLU136D, GLU140A, GLU140D, GLU390A, GLU390D, GLU394A, GLU394D, GLU782A, GLU782D, GLU788A, GLU788D, GLY131A, GLY131D, GLY506A, GLY506D, HIS427A, HIS427D, HIS474A, HIS474D, HIS512A, HIS512D, LEU135A, LEU135D, LEU137A, LEU137D, LEU389A, LEU389D, LEU424A, LEU424D, LEU425A, LEU425D, LEU429A, LEU429D, LEU507A, LEU507D, LEU778A, LEU778D, LEU781A, LEU781D, LEU787A, LEU787D, LEU793A, LEU793D, LEU798A, LEU798D, LYS428A, LYS428D, LYS794A, LYS794D, MET789A, MET789D, PHE133A, PHE133D, PHE139A, PHE139D, PHE142A, PHE142D, PHE470A, PHE470D, PHE790A, PHE790D, PRO114A, PRO141A, PRO141D, PRO797A, PRO797D, SER145A, SER145D, SER423A, SER423D, THR134A, THR134D, THR391A, THR391D, THR393A, THR393D, THR466A, THR466D, TYR392A, TYR392D, TYR508A, TYR508D, TYR786A, TYR786D, TYR791A, TYR791D, TYR795A, TYR795D, VAL421A, VAL421D, VAL510A, VAL511A, VAL511D
• A-E: ALA231E, GLU235A
• A-F: ARG333A, ARG61F, ASN405A, GLN190A, GLU403A, GLU65F, GLY191A, GLY406A, HIS189A, ILE330A, LEU30F, LEU404A, LEU64F, LYS192A, LYS331A, LYS402A, LYS62F, LYS63F, SER401A, THR60F
• B-C: ALA115B, ALA115C, ALA144B, ALA144C, ALA397B, ALA397C, ALA426C, ALA783B, ALA783C, ALA792B, ALA792C, ARG509B, ARG509C, ARG780B, ARG780C, ARG784B, ARG784C, ARG785B, ARG785C, ARG796B, ARG796C, ASN130B, ASN132B, ASN132C, ASN143B, ASN143C, ASN777C, ASP138B, ASP138C, ASP395B, ASP779B, ASP779C, GLN113B, GLN800B, GLN800C, GLU136B, GLU136C, GLU140B, GLU140C, GLU390B, GLU390C, GLU394B, GLU394C, GLU782B, GLU782C, GLU788B, GLU788C, GLY131B, GLY131C, GLY506B, GLY506C, HIS427B, HIS427C, HIS474B, HIS474C, HIS512B, HIS512C, LEU135B, LEU135C, LEU137B, LEU137C, LEU389B, LEU389C, LEU424B, LEU424C, LEU425B, LEU425C, LEU429C, LEU507B, LEU507C, LEU778B, LEU778C, LEU781B, LEU781C, LEU787B, LEU787C, LEU793B, LEU793C, LEU798B, LEU798C, LYS428B, LYS428C, LYS794B, LYS794C, MET789B, MET789C, PHE133B, PHE133C, PHE139B, PHE139C, PHE142B, PHE142C, PHE470B, PHE470C, PHE790B, PHE790C, PRO114B, PRO114C, PRO141B, PRO141C, PRO797B, PRO797C, SER145B, SER145C, SER423B, SER423C, THR134B, THR134C, THR391B, THR391C, THR393B, THR393C, THR466B, TYR508B, TYR508C, TYR786B, TYR786C, TYR791B, TYR791C, TYR795B, TYR795C, VAL421B, VAL421C, VAL510C, VAL511B, VAL511C
• B-E: ARG333E, ARG61B, ASN405E, GLN190E, GLU28B, GLU403E, GLU65B, GLY191E, GLY406E, GLY66B, GLY67B, LEU30B, LEU404E, LEU64B, LYS192E, LYS402E, LYS62B, LYS63B, PRO68B, THR60B, VAL29B
• C-D: ALA168C, ALA168D, ALA218C, ALA218D, ALA262C, ALA262D, ARG148C, ARG148D, ARG164C, ARG164D, ARG211C, ARG211D, ARG254C, ARG254D, ARG93C, ARG93D, ASN163C, ASN163D, ASP160C, ASP160D, ASP173C, ASP173D, ASP258C, ASP258D, ASP264C, ASP264D, CYS266C, CYS266D, GLN207C, GLN207D, GLU214C, GLU214D, GLU215C, GLU215D, GLU219C, GLU219D, GLU261C, GLU261D, HIS152C, HIS152D, HIS165C, HIS165D, HIS172C, HIS172D, HIS208C, HIS208D, ILE146C, ILE146D, ILE155C, ILE155D, LEU151C, LEU151D, LEU162C, LEU162D, LEU166C, LEU166D, LEU170C, LEU170D, LEU210C, LEU210D, LEU255C, LEU255D, LEU256C, LEU256D, LEU257C, LEU257D, LEU259C, LEU259D, LEU260C, LEU260D, LEU268C, LEU268D, LYS153C, LYS153D, LYS169C, LYS169D, LYS174C, LYS174D, LYS212C, LYS212D, LYS490C, LYS490D, PHE161C, PHE161D, PHE171C, PHE171D, PHE517C, PHE517D, PRO147C, PRO147D, PRO149C, PRO149D, PRO263C, PRO263D, PRO265C, PRO265D, PRO519C, PRO519D, PRO92C, PRO92D, PRO94C, PRO94D, SER167C, SER167D, THR150C, THR150D, THR267C, THR267D, TYR154C, TYR154D, VAL96C, VAL96D
• C-G: ALA231C, GLU235C, GLU235G
• C-H: ALA31H, ARG61H, ASN329C, ASN405C, GLN190C, GLU28H, GLU403C, GLY191C, GLY406C, GLY67H, HIS189C, ILE330C, LEU30H, LEU404C, LEU64H, LYS192C, LYS331C, LYS62H, PRO68H, VAL29H
• D-F: ALA106D, ALA106F, ARG101F, ASN103D, ASN103F, GLU110D, GLU110F, GLU28D, GLU28F, HIS105D, HIS105F, LEU104D, LEU107D, LEU107F, LEU32D, LEU32F, PRO84D, PRO84F, TRP85D, TRP85F, VAL108D, VAL108F, VAL109D, VAL109F
• D-G: ARG333G, ARG61D, ASN405G, GLN190G, GLU403G, GLU65D, GLY191G, GLY406G, HIS189G, ILE330G, LEU30D, LEU404G, LEU64D, LYS192G, LYS331G, LYS402G, LYS62D, LYS63D, PRO332G, SER401G, THR60D, TYR361G
• E-F: ALA168E, ALA168F, ALA218E, ALA218F, ALA262E, ALA262F, ARG148E, ARG148F, ARG164E, ARG164F, ARG211E, ARG211F, ARG254E, ARG254F, ARG93E, ARG93F, ASN163E, ASN163F, ASP160E, ASP160F, ASP173E, ASP173F, ASP258E, ASP258F, ASP264E, ASP264F, CYS266E, CYS266F, GLN207E, GLN207F, GLU214E, GLU214F, GLU215E, GLU215F, GLU219E, GLU219F, GLU261E, GLU261F, HIS152E, HIS152F, HIS165E, HIS165F, HIS172E, HIS172F, HIS208E, HIS208F, ILE146E, ILE146F, ILE155E, ILE253E, ILE253F, LEU151E, LEU151F, LEU162E, LEU162F, LEU166E, LEU166F, LEU170E, LEU170F, LEU210E, LEU210F, LEU255E, LEU255F, LEU256E, LEU256F, LEU257E, LEU257F, LEU259E, LEU259F, LEU260E, LEU260F, LEU268E, LEU268F, LYS153E, LYS153F, LYS169E, LYS169F, LYS174E, LYS174F, LYS212E, LYS212F, LYS490E, LYS490F, PHE161E, PHE161F, PHE171E, PHE171F, PHE517E, PHE517F, PRO147E, PRO147F, PRO149E, PRO149F, PRO263E, PRO263F, PRO265E, PRO265F, PRO519E, PRO92E, PRO92F, PRO94E, PRO94F, SER167E, SER167F, THR150E, THR150F, THR267E, THR267F, TYR154E, TYR154F, VAL96E, VAL96F
• E-H: ALA115E, ALA115H, ALA144E, ALA144H, ALA397E, ALA397H, ALA426E, ALA783E, ALA783H, ALA792E, ALA792H, ARG509E, ARG509H, ARG780E, ARG780H, ARG784E, ARG784H, ARG785E, ARG785H, ARG796E, ARG796H, ASN132E, ASN132H, ASN143E, ASN143H, ASN777E, ASP138E, ASP138H, ASP395E, ASP395H, ASP779E, ASP779H, GLN113E, GLN800H, GLU136E, GLU136H, GLU140E, GLU140H, GLU390E, GLU390H, GLU394E, GLU394H, GLU782E, GLU782H, GLU788E, GLU788H, GLY131E, GLY131H, GLY506E, GLY506H, HIS427E, HIS427H, HIS474E, HIS474H, HIS512E, HIS512H, LEU135E, LEU135H, LEU137E, LEU137H, LEU389E, LEU389H, LEU424E, LEU424H, LEU425E, LEU425H, LEU429E, LEU429H, LEU507E, LEU507H, LEU778E, LEU778H, LEU781E, LEU781H, LEU787E, LEU787H, LEU793E, LEU793H, LEU798E, LEU798H, LYS428E, LYS428H, LYS794E, LYS794H, MET789E, MET789H, PHE133E, PHE133H, PHE139E, PHE139H, PHE142E, PHE142H, PHE470E, PHE470H, PHE790E, PHE790H, PRO114E, PRO114H, PRO141E, PRO141H, PRO797E, PRO797H, SER145E, SER145H, SER423E, SER423H, THR134E, THR134H, THR391E, THR391H, THR393E, THR393H, THR466E, TYR508E, TYR508H, TYR786E, TYR786H, TYR791E, TYR791H, TYR795E, TYR795H, VAL398E, VAL421E, VAL421H, VAL510H, VAL511E, VAL511H
• F-G: ALA115F, ALA115G, ALA144F, ALA144G, ALA397F, ALA397G, ALA426G, ALA783F, ALA783G, ALA792F, ALA792G, ARG509F, ARG509G, ARG780F, ARG780G, ARG784F, ARG784G, ARG785F, ARG785G, ARG796F, ARG796G, ASN130F, ASN130G, ASN132F, ASN132G, ASN143F, ASN143G, ASN777F, ASN777G, ASP138F, ASP138G, ASP395F, ASP395G, ASP779F, ASP779G, GLN800F, GLN800G, GLU136F, GLU136G, GLU140F, GLU140G, GLU390F, GLU390G, GLU394F, GLU394G, GLU782F, GLU782G, GLU788F, GLU788G, GLY131F, GLY131G, GLY506F, GLY506G, HIS427F, HIS427G, HIS474F, HIS474G, HIS512F, HIS512G, LEU135F, LEU135G, LEU137F, LEU137G, LEU389F, LEU389G, LEU424F, LEU424G, LEU425F, LEU425G, LEU429F, LEU429G, LEU507F, LEU507G, LEU778F, LEU778G, LEU781F, LEU781G, LEU787F, LEU787G, LEU793F, LEU793G, LEU798F, LEU798G, LYS129G, LYS428F, LYS428G, LYS794F, LYS794G, MET789F, MET789G, PHE133F, PHE133G, PHE139F, PHE139G, PHE142F, PHE142G, PHE470F, PHE470G, PHE790F, PHE790G, PRO114F, PRO114G, PRO141F, PRO141G, PRO797F, PRO797G, SER145F, SER145G, SER423F, SER423G, THR134F, THR134G, THR391F, THR391G, THR393F, THR393G, THR466F, THR466G, TYR392F, TYR508F, TYR508G, TYR786F, TYR786G, TYR791F, TYR791G, TYR795F, TYR795G, VAL421F, VAL421G, VAL510F, VAL511F, VAL511G
• G-H: ALA168G, ALA168H, ALA218G, ALA218H, ALA262G, ALA262H, ARG148G, ARG148H, ARG164G, ARG164H, ARG211G, ARG211H, ARG254G, ARG254H, ARG93G, ARG93H, ASN163G, ASN163H, ASP160G, ASP160H, ASP173G, ASP173H, ASP258G, ASP258H, ASP264G, ASP264H, CYS266G, CYS266H, GLN207G, GLN207H, GLU214G, GLU214H, GLU215G, GLU215H, GLU219G, GLU219H, GLU261G, GLU261H, HIS152G, HIS152H, HIS165G, HIS165H, HIS172G, HIS172H, HIS208G, HIS208H, ILE146G, ILE146H, ILE155H, LEU151G, LEU151H, LEU162G, LEU162H, LEU166G, LEU166H, LEU170G, LEU170H, LEU210G, LEU210H, LEU255G, LEU255H, LEU256G, LEU256H, LEU257G, LEU257H, LEU259G, LEU259H, LEU260G, LEU260H, LEU268G, LEU268H, LYS153G, LYS153H, LYS169G, LYS169H, LYS174G, LYS174H, LYS212H, LYS490G, LYS490H, PHE161G, PHE161H, PHE171G, PHE171H, PHE517G, PHE517H, PRO147G, PRO147H, PRO149G, PRO149H, PRO263G, PRO263H, PRO265G, PRO265H, PRO519H, PRO92G, PRO92H, PRO94H, SER167G, SER167H, THR150G, THR150H, THR267G, THR267H, TYR154G, TYR154H, VAL96G, VAL96H