3U3X

crystal structure of a putative oxidoreductase from sinorhizobium meliloti 1021

• Total interactions analyzed: 10
• Total true interactions: 4
• Strongest Interaction:
  • Chains: G-J
  • Int. Res.: 171
  • Norm. En. per Res.: -2.8425
• 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-D	-46.2572	-20.2926	-400.756	-467.3059	173	15	17	17747	6	42	51
A-G	0.0	-15.5785	-89.5528	-105.1312	91	2	5	4769	0	58	47
G-J	-48.1738	-26.7469	-411.14	-486.0607	171	13	16	17878	6	43	52
J-M	0.0	6.9337	-63.0737	-56.14	89	1	5	3482	0	48	44

Interface residues

• A-D: ALA225A, ALA225D, ALA291A, ALA291D, ALA302A, ALA302D, ALA350A, ALA350D, ALA354A, ALA354D, ARG180A, ARG180D, ARG250A, ARG250D, ARG272A, ARG272D, ARG285A, ARG285D, ARG293A, ARG293D, ARG304A, ARG304D, ASN229A, ASN229D, ASN258A, ASN258D, ASN305A, ASN305D, ASP240A, ASP240D, ASP270A, ASP270D, ASP289A, ASP289D, ASP303A, ASP303D, GLN230A, GLN230D, GLU169A, GLU169D, GLU263A, GLU263D, GLU283A, GLU283D, GLU308A, GLU308D, GLY175A, GLY175D, GLY177D, GLY228A, GLY228D, GLY242A, GLY242D, GLY249A, GLY249D, GLY253A, GLY253D, GLY264A, GLY264D, GLY271D, GLY277A, GLY277D, GLY280A, GLY280D, GLY292A, GLY292D, GLY306A, GLY306D, HIS172A, HIS172D, HIS245A, HIS245D, HIS256A, HIS256D, HIS298A, HIS298D, HIS309A, HIS309D, ILE167A, ILE167D, ILE173A, ILE173D, ILE244A, ILE244D, ILE255A, ILE255D, ILE275A, ILE275D, ILE282A, ILE282D, ILE310A, ILE310D, ILE353A, ILE353D, LEU176A, LEU176D, LEU200A, LEU200D, LEU223A, LEU223D, LEU246A, LEU246D, LEU260A, LEU260D, LEU273A, LEU273D, LEU290A, LEU290D, LEU299A, LEU299D, LEU301A, LEU301D, PHE274A, PHE274D, PHE300A, PHE300D, PRO178A, PRO178D, PRO233A, PRO262A, PRO262D, PRO266A, PRO266D, SER224A, SER224D, SER226A, SER226D, SER231A, SER231D, SER243A, SER243D, SER247A, SER247D, SER279A, SER279D, THR241A, THR241D, THR248A, THR248D, THR251A, THR251D, THR252A, THR252D, THR261A, THR261D, THR267A, THR267D, THR278A, THR278D, THR281A, THR281D, TRP259A, TRP259D, VAL170A, VAL170D, VAL171A, VAL171D, VAL174A, VAL174D, VAL222A, VAL222D, VAL227A, VAL227D, VAL232A, VAL232D, VAL257A, VAL257D, VAL276A, VAL276D, VAL288A, VAL288D, VAL307A, VAL307D
• A-G: ALA62A, ALA62G, ALA64A, ALA64G, ALA65A, ALA65G, ALA69A, ALA69G, ALA72A, ALA72G, ALA74A, ALA74G, ALA78A, ALA78G, ARG180A, ARG180G, ARG182A, ARG182G, ARG183G, ARG186A, ARG186G, ARG48A, ARG48G, ARG75A, ARG75G, ARG76A, ARG76G, ASN297A, ASN297G, ASN37A, ASN37G, ASN44A, ASN44G, ASP60A, ASP60G, ASP61A, ASP61G, ASP73A, ASP73G, GLN42A, GLN42G, GLU151A, GLU151G, GLU184A, GLU184G, GLU263A, GLU66A, GLU66G, GLY264G, GLY295A, GLY295G, GLY296A, GLY296G, GLY41A, GLY41G, HIS36A, HIS36G, HIS38A, HIS38G, ILE39A, ILE39G, ILE77A, ILE77G, LEU317A, LEU317G, LEU63A, LEU63G, PHE67A, PHE67G, PRO153G, PRO266A, PRO266G, SER313A, SER313G, SER68A, SER68G, THR185A, THR185G, THR267A, THR267G, THR287G, TRP268A, TRP268G, TYR40A, TYR40G, TYR71A, TYR71G, VAL43A, VAL43G, VAL70A, VAL70G
• G-J: ALA166J, ALA225G, ALA225J, ALA291G, ALA291J, ALA302G, ALA302J, ALA350G, ALA354G, ALA354J, ARG180G, ARG180J, ARG183J, ARG250G, ARG250J, ARG272G, ARG272J, ARG285G, ARG285J, ARG293G, ARG293J, ARG304G, ARG304J, ASN229G, ASN229J, ASN258G, ASN258J, ASN305G, ASN305J, ASP240G, ASP240J, ASP270G, ASP270J, ASP289G, ASP289J, ASP303G, ASP303J, GLN230G, GLN230J, GLU169G, GLU169J, GLU263G, GLU263J, GLU283G, GLU283J, GLU308G, GLU308J, GLY168J, GLY175G, GLY175J, GLY177G, GLY177J, GLY228G, GLY228J, GLY242G, GLY242J, GLY249G, GLY249J, GLY253G, GLY253J, GLY264G, GLY264J, GLY271J, GLY277G, GLY277J, GLY280G, GLY280J, GLY292G, GLY292J, GLY306G, GLY306J, HIS172G, HIS172J, HIS245G, HIS245J, HIS256G, HIS256J, HIS298J, HIS309G, HIS309J, ILE167G, ILE167J, ILE173G, ILE173J, ILE244G, ILE244J, ILE255G, ILE255J, ILE282G, ILE282J, ILE310G, ILE310J, ILE353G, ILE353J, LEU176G, LEU176J, LEU200G, LEU200J, LEU223G, LEU223J, LEU246G, LEU246J, LEU260G, LEU260J, LEU273G, LEU290G, LEU290J, LEU299G, LEU299J, LEU301G, LEU301J, PHE274G, PHE274J, PHE300G, PHE300J, PRO178G, PRO178J, PRO233G, PRO262G, PRO262J, PRO266G, PRO266J, SER224G, SER224J, SER226G, SER226J, SER231G, SER231J, SER243G, SER243J, SER247G, SER247J, SER279G, SER279J, THR241G, THR241J, THR248G, THR251G, THR251J, THR252G, THR252J, THR261G, THR261J, THR267G, THR267J, THR278G, THR278J, THR281G, THR281J, TRP259G, TRP259J, VAL170G, VAL170J, VAL171G, VAL171J, VAL174G, VAL174J, VAL222G, VAL222J, VAL227G, VAL227J, VAL232G, VAL232J, VAL257G, VAL257J, VAL276G, VAL276J, VAL288G, VAL288J, VAL307G, VAL307J
• J-M: ALA54M, ALA65J, ALA65M, ALA69J, ALA69M, ALA72J, ALA72M, ALA74J, ALA74M, ALA78M, ARG180J, ARG182J, ARG182M, ARG28J, ARG28M, ARG314J, ARG314M, ARG48J, ARG48M, ARG52J, ARG52M, ARG75J, ARG75M, ARG76J, ARG76M, ASN297J, ASN297M, ASN37J, ASN37M, ASN44J, ASN44M, ASN88J, ASP73J, ASP73M, GLU151J, GLU151M, GLU26M, GLU294J, GLU294M, GLU66J, GLU66M, GLY295J, GLY295M, GLY296J, GLY296M, GLY41J, GLY41M, GLY50J, GLY50M, HIS36J, HIS36M, HIS38J, HIS38M, ILE39J, ILE39M, ILE77M, LEU317J, LEU317M, LEU47J, LEU47M, PHE67J, PHE67M, PRO153J, PRO153M, PRO266J, PRO266M, SER147J, SER147M, SER152J, SER152M, SER313J, SER313M, SER68J, SER68M, THR185J, THR185M, THR267J, THR267M, THR287J, TRP268J, TRP268M, TYR40J, TYR40M, TYR71J, TYR71M, VAL43J, VAL43M, VAL70J, VAL70M