3OQB

crystal structure of putative oxidoreductase from bradyrhizobium japonicum usda 110

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 270
  • Norm. En. per Res.: -4.1087
• 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-C	-20.4274	0.535	-188.138	-208.0304	69	6	7	7135	0	13	22
A-E	0.0	0.0	-40.131	-40.131	19	1	0	1181	0	2	3
A-F	0.0	0.0	-30.3949	-30.3949	21	0	0	1063	0	3	4
A-G	-131.0634	-128.0084	-852.95	-1112.0218	273	48	15	34830	7	78	69
B-C	0.0	0.0	-35.5266	-35.5266	21	1	0	1190	0	1	6
B-D	0.0	0.0	-32.1967	-32.1967	17	1	0	1046	0	2	3
B-F	-18.8756	-0.2104	-185.842	-204.928	68	7	3	7069	0	12	20
B-H	-114.2994	-126.6931	-837.469	-1078.4615	264	50	15	34630	8	68	65
C-F	-135.9986	-118.7231	-849.543	-1104.2647	270	53	15	34660	6	81	64
C-G	0.0	0.0	-33.2444	-33.2444	17	1	0	1066	0	1	3
D-E	-110.486	-129.733	-869.131	-1109.35	270	38	15	35480	6	73	66
D-G	0.0	0.0	-33.2978	-33.2978	23	0	0	1114	0	3	5
D-H	-23.5337	1.2527	-191.684	-213.965	68	3	5	7274	0	13	23
E-G	-33.1032	0.8734	-195.584	-227.8138	70	4	6	7330	0	12	23
E-H	0.0	0.0	-37.41	-37.41	23	1	0	1141	0	5	6
F-H	0.0	0.0	-37.3227	-37.3227	23	0	0	1208	0	7	8

Interface residues

• A-C: ALA297A, ALA297C, ALA300A, ALA300C, ARG156A, ARG156C, ARG298A, ARG298C, ARG303A, ARG303C, ASN326A, ASN326C, ASP157A, ASP157C, ASP319A, ASP319C, ASP325A, ASP325C, CYS293C, GLN296A, GLN296C, GLN299A, GLN299C, GLN321A, GLN321C, GLY159A, GLY159C, GLY162A, GLY162C, GLY318A, GLY318C, HIS283A, HIS283C, HIS314A, HIS314C, ILE295A, ILE295C, LEU155A, LEU155C, LEU323A, LEU323C, LYS151A, LYS151C, LYS322A, LYS322C, PHE154A, PHE154C, PHE160A, PHE160C, PHE161A, PHE161C, PRO302A, PRO302C, PRO304A, PRO304C, PRO324A, PRO324C, SER158A, SER158C, SER328A, SER328C, THR301A, THR301C, TRP320A, TRP320C, TYR317A, TYR317C, VAL327A, VAL327C
• A-E: ALA153E, ARG156E, ASN326E, ASP157E, ASP325E, GLN181A, GLN184A, GLU182A, GLY159E, GLY179A, LEU155E, LEU323E, PHE154E, PHE176A, PRO324E, SER158E, TRP174A, TRP180A, VAL327E
• A-F: ALA153A, ARG156A, ASN326A, ASP157A, ASP325A, GLN181F, GLN184F, GLN235F, GLU182F, GLY159A, GLY179F, LEU155A, LEU323A, LYS40A, PHE154A, PHE176F, PRO324A, SER158A, TRP174F, TRP180F, VAL327A
• A-G: ALA183A, ALA183G, ALA247A, ALA247G, ALA249A, ALA249G, ALA259A, ALA259G, ALA286A, ALA286G, ALA288A, ALA288G, ALA297A, ALA297G, ALA300A, ALA300G, ARG163A, ARG163G, ARG168A, ARG168G, ARG185A, ARG185G, ARG231A, ARG231G, ARG268A, ARG268G, ARG26A, ARG26G, ARG271A, ARG271G, ARG298A, ARG298G, ARG303A, ARG303G, ARG312G, ARG374A, ARG374G, ARG375A, ARG375G, ASN21A, ASN21G, ASN225A, ASN225G, ASN262A, ASN262G, ASN307A, ASN307G, ASN331A, ASN331G, ASP142A, ASP142G, ASP227A, ASP227G, ASP245A, ASP245G, ASP272A, ASP272G, ASP273A, ASP273G, ASP280A, ASP280G, ASP292A, ASP292G, ASP315A, ASP315G, ASP319A, ASP319G, ASP325A, ASP330A, ASP330G, ASP378A, ASP378G, CYS222A, CYS222G, CYS293A, GLN181A, GLN181G, GLN184A, GLN184G, GLN218A, GLN218G, GLN22A, GLN22G, GLN252A, GLN252G, GLN278A, GLN278G, GLN296A, GLN296G, GLN299A, GLN299G, GLN321A, GLN321G, GLU170A, GLU170G, GLU177A, GLU177G, GLU182A, GLU182G, GLU230A, GLU230G, GLU373A, GLU373G, GLY148A, GLY148G, GLY162A, GLY162G, GLY169A, GLY169G, GLY172A, GLY172G, GLY178A, GLY178G, GLY179A, GLY179G, GLY224A, GLY224G, GLY255G, GLY256A, GLY256G, GLY281A, GLY281G, GLY284A, GLY284G, GLY289A, GLY289G, GLY318A, GLY318G, GLY332A, GLY332G, HIS205A, HIS260A, HIS260G, HIS283A, HIS283G, HIS314A, HIS314G, ILE164A, ILE164G, ILE223A, ILE223G, ILE228A, ILE228G, ILE258A, ILE258G, ILE261A, ILE261G, ILE295A, ILE295G, ILE377A, ILE377G, LEU146A, LEU146G, LEU149G, LEU165A, LEU165G, LEU253G, LEU274A, LEU274G, LEU290A, LEU290G, LEU313A, LEU313G, LYS143A, LYS143G, LYS311G, LYS322A, LYS322G, PHE145A, PHE145G, PHE160A, PHE160G, PHE161A, PHE161G, PHE171A, PHE171G, PHE176A, PHE176G, PHE251A, PHE251G, PHE277A, PHE277G, PHE316A, PHE316G, PHE333A, PHE333G, PRO147A, PRO147G, PRO229A, PRO229G, PRO302A, PRO302G, PRO304A, PRO304G, PRO308A, PRO308G, SER166A, SER166G, SER219A, SER219G, SER246A, SER246G, SER264A, SER264G, SER285A, SER285G, SER291A, SER291G, SER328A, SER370A, SER370G, THR226A, THR226G, THR250A, THR250G, THR267A, THR267G, THR276A, THR276G, THR282A, THR282G, THR301A, THR301G, TRP174A, TRP174G, TRP180A, TRP180G, TRP206A, TRP206G, TRP265A, TRP265G, TRP306A, TRP306G, TRP320A, TRP320G, TRP371A, TRP371G, TRP376A, TRP376G, TYR173A, TYR173G, TYR208G, TYR248A, TYR248G, TYR270A, TYR270G, TYR317A, TYR317G, TYR329A, VAL167A, VAL167G, VAL175A, VAL175G, VAL220A, VAL220G, VAL221A, VAL221G, VAL257A, VAL257G, VAL266A, VAL266G, VAL269A, VAL269G, VAL275A, VAL275G, VAL279A, VAL279G, VAL287A, VAL287G, VAL305A, VAL305G, VAL379A, VAL379G
• B-C: ALA153B, ARG156B, ASN326B, ASP157B, ASP325B, GLN181C, GLN184C, GLN235C, GLU182C, GLY159B, GLY179C, LEU155B, LEU323B, LYS40B, PHE154B, PHE176C, PRO324B, SER158B, TRP174C, TRP180C, VAL327B
• B-D: ALA153D, ARG156D, ASN326D, ASP157D, GLN181B, GLN184B, GLU182B, GLY159D, GLY179B, LEU323D, PHE154D, PHE176B, PRO324D, SER158D, TRP174B, TRP180B, VAL327D
• B-F: ALA297B, ALA297F, ALA300B, ALA300F, ARG156B, ARG156F, ARG298B, ARG298F, ARG303B, ARG303F, ASN326B, ASN326F, ASP157B, ASP157F, ASP319B, ASP319F, ASP325B, ASP325F, GLN296B, GLN296F, GLN299B, GLN299F, GLN321B, GLN321F, GLY159B, GLY159F, GLY162B, GLY162F, GLY318B, GLY318F, HIS283B, HIS283F, HIS314B, HIS314F, ILE295B, ILE295F, LEU155B, LEU155F, LEU323B, LEU323F, LYS151B, LYS151F, LYS322B, LYS322F, PHE154B, PHE154F, PHE160B, PHE160F, PHE161B, PHE161F, PRO302B, PRO302F, PRO304B, PRO304F, PRO324B, PRO324F, SER158B, SER158F, SER328B, SER328F, THR301B, THR301F, TRP320B, TRP320F, TYR317B, TYR317F, VAL327B, VAL327F
• B-H: ALA183B, ALA183H, ALA247B, ALA247H, ALA249B, ALA249H, ALA259B, ALA259H, ALA286B, ALA286H, ALA288B, ALA288H, ALA297B, ALA297H, ALA300B, ALA300H, ARG163B, ARG163H, ARG168B, ARG168H, ARG185B, ARG185H, ARG231B, ARG231H, ARG268B, ARG268H, ARG26B, ARG26H, ARG271B, ARG271H, ARG298B, ARG298H, ARG303B, ARG303H, ARG374B, ARG374H, ARG375B, ARG375H, ASN21H, ASN225B, ASN225H, ASN262B, ASN262H, ASN307B, ASN307H, ASN331B, ASN331H, ASP142B, ASP142H, ASP227B, ASP227H, ASP245B, ASP245H, ASP272B, ASP272H, ASP273B, ASP273H, ASP280B, ASP280H, ASP292B, ASP292H, ASP315B, ASP315H, ASP319B, ASP319H, ASP330B, ASP330H, ASP378B, ASP378H, CYS222B, CYS222H, CYS293B, CYS293H, GLN181B, GLN181H, GLN184B, GLN184H, GLN218B, GLN218H, GLN22B, GLN22H, GLN252B, GLN252H, GLN278B, GLN278H, GLN296B, GLN296H, GLN299B, GLN299H, GLN321B, GLN321H, GLU170B, GLU170H, GLU177B, GLU177H, GLU182B, GLU182H, GLU230B, GLU230H, GLU373B, GLU373H, GLY148B, GLY148H, GLY162H, GLY169B, GLY169H, GLY172B, GLY172H, GLY178B, GLY178H, GLY179B, GLY179H, GLY224B, GLY224H, GLY256B, GLY256H, GLY281B, GLY281H, GLY284B, GLY284H, GLY289B, GLY318B, GLY318H, GLY332B, GLY332H, HIS205H, HIS260B, HIS260H, HIS283B, HIS283H, HIS314B, HIS314H, ILE164H, ILE223B, ILE223H, ILE228B, ILE228H, ILE258B, ILE258H, ILE261B, ILE261H, ILE295B, ILE295H, ILE377B, ILE377H, LEU146B, LEU146H, LEU149B, LEU149H, LEU165B, LEU165H, LEU253B, LEU253H, LEU274B, LEU274H, LEU290B, LEU290H, LEU313B, LYS143B, LYS143H, LYS322B, LYS322H, PHE145B, PHE145H, PHE160B, PHE160H, PHE161B, PHE161H, PHE171B, PHE171H, PHE176B, PHE176H, PHE251B, PHE251H, PHE277B, PHE277H, PHE316B, PHE316H, PHE333B, PHE333H, PRO147B, PRO147H, PRO229B, PRO229H, PRO302B, PRO302H, PRO304B, PRO304H, PRO308B, PRO308H, SER166B, SER166H, SER219B, SER219H, SER246B, SER246H, SER264B, SER264H, SER285B, SER285H, SER291B, SER291H, SER370B, SER370H, THR226B, THR226H, THR250B, THR250H, THR267B, THR267H, THR276B, THR276H, THR282B, THR282H, THR301B, THR301H, TRP174B, TRP174H, TRP180B, TRP180H, TRP206B, TRP206H, TRP265B, TRP265H, TRP306B, TRP306H, TRP320B, TRP320H, TRP371B, TRP371H, TRP376B, TRP376H, TYR173B, TYR173H, TYR248B, TYR248H, TYR270B, TYR270H, TYR317B, TYR317H, VAL167B, VAL167H, VAL175B, VAL175H, VAL220B, VAL220H, VAL221B, VAL221H, VAL257B, VAL257H, VAL266B, VAL266H, VAL269B, VAL269H, VAL275B, VAL275H, VAL279B, VAL279H, VAL287B, VAL287H, VAL305B, VAL305H, VAL379B, VAL379H
• C-F: ALA183C, ALA183F, ALA247C, ALA247F, ALA249C, ALA249F, ALA259C, ALA259F, ALA286C, ALA286F, ALA288C, ALA288F, ALA297C, ALA297F, ALA300C, ALA300F, ARG163C, ARG163F, ARG168C, ARG168F, ARG185C, ARG185F, ARG231C, ARG231F, ARG268C, ARG268F, ARG26C, ARG26F, ARG271C, ARG271F, ARG298C, ARG298F, ARG303C, ARG303F, ARG312C, ARG374C, ARG374F, ARG375C, ARG375F, ASN21C, ASN225C, ASN225F, ASN262C, ASN262F, ASN307C, ASN307F, ASN331C, ASN331F, ASP142C, ASP142F, ASP227C, ASP227F, ASP245C, ASP245F, ASP272C, ASP272F, ASP273C, ASP273F, ASP280C, ASP280F, ASP292C, ASP292F, ASP315C, ASP315F, ASP319C, ASP319F, ASP330F, ASP378C, ASP378F, CYS222C, CYS222F, CYS293C, GLN181C, GLN181F, GLN184C, GLN184F, GLN218C, GLN218F, GLN22C, GLN22F, GLN252C, GLN252F, GLN278C, GLN278F, GLN296C, GLN296F, GLN299C, GLN299F, GLN321C, GLN321F, GLU170C, GLU170F, GLU177C, GLU177F, GLU182C, GLU182F, GLU230C, GLU230F, GLU373C, GLU373F, GLY148C, GLY148F, GLY162C, GLY162F, GLY169C, GLY169F, GLY172C, GLY172F, GLY178C, GLY178F, GLY179C, GLY179F, GLY224C, GLY224F, GLY255F, GLY256C, GLY256F, GLY281C, GLY281F, GLY284C, GLY284F, GLY289F, GLY318C, GLY318F, GLY332C, GLY332F, HIS205C, HIS260C, HIS260F, HIS283C, HIS283F, HIS314C, HIS314F, ILE164C, ILE164F, ILE223C, ILE223F, ILE228C, ILE228F, ILE258C, ILE258F, ILE261C, ILE261F, ILE295C, ILE295F, ILE377C, ILE377F, LEU146C, LEU146F, LEU149C, LEU149F, LEU165C, LEU165F, LEU253C, LEU253F, LEU274C, LEU274F, LEU290C, LEU290F, LEU313C, LEU313F, LYS143C, LYS143F, LYS311F, LYS322C, LYS322F, PHE145C, PHE145F, PHE160C, PHE160F, PHE161C, PHE161F, PHE171C, PHE171F, PHE176C, PHE176F, PHE251C, PHE251F, PHE277C, PHE277F, PHE316C, PHE316F, PHE333C, PHE333F, PRO147C, PRO147F, PRO229C, PRO229F, PRO302C, PRO302F, PRO304C, PRO304F, PRO308C, PRO308F, SER166C, SER166F, SER219C, SER219F, SER246C, SER246F, SER264C, SER264F, SER285C, SER285F, SER291C, SER291F, SER370C, SER370F, THR226C, THR226F, THR250C, THR250F, THR267C, THR267F, THR276C, THR276F, THR282C, THR282F, THR301C, THR301F, TRP174C, TRP174F, TRP180C, TRP180F, TRP206C, TRP206F, TRP265C, TRP265F, TRP306C, TRP306F, TRP320C, TRP320F, TRP371C, TRP371F, TRP376C, TRP376F, TYR173C, TYR173F, TYR208C, TYR208F, TYR248C, TYR248F, TYR270C, TYR270F, TYR317C, TYR317F, VAL167C, VAL167F, VAL175C, VAL175F, VAL220C, VAL220F, VAL221C, VAL221F, VAL257C, VAL257F, VAL266C, VAL266F, VAL269C, VAL269F, VAL275C, VAL275F, VAL279C, VAL279F, VAL287C, VAL287F, VAL305C, VAL305F, VAL379C, VAL379F
• C-G: ALA153C, ARG156C, ASN326C, ASP157C, GLN181G, GLN184G, GLU182G, GLY159C, GLY179G, LEU323C, PHE154C, PHE176G, PRO324C, SER158C, TRP174G, TRP180G, VAL327C
• D-E: ALA183D, ALA183E, ALA247D, ALA247E, ALA249D, ALA249E, ALA259D, ALA259E, ALA286D, ALA286E, ALA288D, ALA288E, ALA297D, ALA297E, ALA300D, ALA300E, ARG163D, ARG163E, ARG168D, ARG168E, ARG17E, ARG185D, ARG185E, ARG231D, ARG231E, ARG268D, ARG268E, ARG26D, ARG26E, ARG271D, ARG271E, ARG298D, ARG298E, ARG303D, ARG303E, ARG374D, ARG374E, ARG375D, ARG375E, ASN21E, ASN225D, ASN225E, ASN262D, ASN262E, ASN307D, ASN307E, ASN331D, ASN331E, ASP142D, ASP142E, ASP227D, ASP227E, ASP245D, ASP245E, ASP272D, ASP272E, ASP273D, ASP273E, ASP280D, ASP280E, ASP292D, ASP292E, ASP315D, ASP315E, ASP319D, ASP319E, ASP330D, ASP330E, ASP378D, ASP378E, CYS222D, CYS222E, CYS293E, GLN181D, GLN181E, GLN184D, GLN184E, GLN218D, GLN218E, GLN22D, GLN22E, GLN252D, GLN252E, GLN278D, GLN278E, GLN296D, GLN296E, GLN299D, GLN299E, GLN321D, GLN321E, GLU170D, GLU170E, GLU177D, GLU177E, GLU182D, GLU182E, GLU230D, GLU230E, GLU373D, GLU373E, GLY148D, GLY148E, GLY169D, GLY169E, GLY172D, GLY172E, GLY178D, GLY178E, GLY179D, GLY179E, GLY224D, GLY224E, GLY255D, GLY256D, GLY256E, GLY281D, GLY281E, GLY284D, GLY284E, GLY289D, GLY289E, GLY318D, GLY318E, GLY332D, GLY332E, HIS205E, HIS260D, HIS260E, HIS283D, HIS283E, HIS314D, HIS314E, ILE164D, ILE164E, ILE223D, ILE223E, ILE228D, ILE228E, ILE258D, ILE258E, ILE261D, ILE261E, ILE295D, ILE295E, ILE377D, ILE377E, LEU146D, LEU146E, LEU149D, LEU149E, LEU165D, LEU165E, LEU253D, LEU253E, LEU274D, LEU274E, LEU290D, LEU290E, LEU313D, LEU313E, LYS143D, LYS143E, LYS311D, LYS322D, LYS322E, PHE145D, PHE145E, PHE160D, PHE160E, PHE161D, PHE161E, PHE171D, PHE171E, PHE176D, PHE176E, PHE251D, PHE251E, PHE277D, PHE277E, PHE316D, PHE316E, PHE333D, PHE333E, PRO147D, PRO147E, PRO186D, PRO186E, PRO229D, PRO229E, PRO302D, PRO302E, PRO304D, PRO304E, PRO308D, PRO308E, SER166D, SER166E, SER219D, SER219E, SER246D, SER246E, SER264D, SER264E, SER285D, SER285E, SER291D, SER291E, SER370D, SER370E, THR226D, THR226E, THR250D, THR250E, THR267D, THR267E, THR276D, THR276E, THR282D, THR282E, THR301D, THR301E, TRP174D, TRP174E, TRP180D, TRP180E, TRP206D, TRP206E, TRP265D, TRP265E, TRP306D, TRP306E, TRP320D, TRP320E, TRP371D, TRP371E, TRP376D, TRP376E, TYR173D, TYR173E, TYR248D, TYR248E, TYR270D, TYR270E, TYR317D, TYR317E, VAL167D, VAL167E, VAL175D, VAL175E, VAL220D, VAL220E, VAL221D, VAL221E, VAL257D, VAL257E, VAL266D, VAL266E, VAL269D, VAL269E, VAL275D, VAL275E, VAL279D, VAL279E, VAL287D, VAL287E, VAL305D, VAL305E, VAL379D, VAL379E
• D-G: ALA153G, ARG156G, ASN326G, ASP157G, ASP325G, GLN181D, GLN184D, GLN235D, GLU182D, GLY159G, GLY179D, LEU155G, LEU323G, LYS237D, LYS40G, PHE154G, PHE176D, PRO324G, SER158G, TRP174D, TRP180D, TYR329G, VAL327G
• D-H: ALA297D, ALA297H, ALA300D, ALA300H, ARG156D, ARG156H, ARG298D, ARG298H, ARG303D, ARG303H, ASN326D, ASN326H, ASP157D, ASP157H, ASP319D, ASP319H, ASP325D, ASP325H, GLN296D, GLN296H, GLN299D, GLN299H, GLN321D, GLN321H, GLY159D, GLY159H, GLY162D, GLY162H, GLY318D, GLY318H, HIS283D, HIS283H, HIS314D, HIS314H, ILE295D, ILE295H, LEU155D, LEU155H, LEU323D, LEU323H, LYS151D, LYS151H, LYS322D, LYS322H, PHE154D, PHE154H, PHE160D, PHE160H, PHE161D, PHE161H, PRO302D, PRO302H, PRO304D, PRO304H, PRO324D, PRO324H, SER158D, SER158H, SER328D, SER328H, THR301D, THR301H, TRP320D, TRP320H, TYR317D, TYR317H, VAL327D, VAL327H
• E-G: ALA286E, ALA297E, ALA297G, ALA300E, ALA300G, ARG156E, ARG156G, ARG298E, ARG298G, ARG303E, ARG303G, ASN326E, ASN326G, ASP157E, ASP157G, ASP319E, ASP319G, ASP325E, ASP325G, CYS293G, GLN296E, GLN296G, GLN299E, GLN299G, GLN321E, GLN321G, GLY159E, GLY159G, GLY162E, GLY162G, GLY318E, GLY318G, HIS283E, HIS283G, HIS314E, HIS314G, ILE295E, ILE295G, LEU155E, LEU155G, LEU323E, LEU323G, LYS151E, LYS151G, LYS322E, LYS322G, PHE154E, PHE154G, PHE160E, PHE160G, PHE161E, PHE161G, PHE316G, PRO302E, PRO302G, PRO304E, PRO304G, PRO324E, PRO324G, SER158E, SER158G, SER328E, SER328G, THR301E, THR301G, TRP320E, TRP320G, TYR317G, VAL327E, VAL327G
• E-H: ALA153H, ARG156H, ASN326H, ASN41H, ASP157H, ASP43H, GLN181E, GLN184E, GLU182E, GLU57E, GLY159H, GLY179E, GLY42H, LEU155H, LEU323H, PHE154H, PHE176E, PRO324H, SER158H, THR3H, TRP174E, TRP180E, VAL327H
• F-H: ALA153F, ARG156F, ASN326F, ASP157F, ASP325F, GLN181H, GLN184H, GLN235H, GLU182H, GLU57H, GLY159F, GLY179H, LEU155F, LEU323F, LYS40F, PHE154F, PHE176H, PRO324F, SER158F, THR3F, TRP174H, TRP180H, VAL327F