3PM9

crystal structure of a putative dehydrogenase (rpa1076) from rhodopseudomonas palustris cga009 at 2.57 a resolution

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 322
  • Norm. En. per Res.: -3.3465
• 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	-136.1337	-78.7187	-782.646	-997.4984	318	31	14	34094	11	96	95
A-C	0.0	7.3655	-5.0658	2.2997	20	0	0	428	0	22	18
A-D	-7.4694	117.5425	-120.597	-10.5238	55	0	2	4300	0	24	47
A-E	-11.8251	10.8446	-123.599	-124.5795	57	2	8	5206	2	13	18
B-C	-8.12	93.6567	-119.816	-34.2794	56	0	2	4419	0	24	47
B-D	0.0	12.1137	-5.9162	6.1975	20	0	0	438	0	22	18
B-F	-22.0157	13.4077	-125.406	-134.014	57	2	8	5300	2	13	18
C-D	-116.4577	-115.4076	-788.193	-1020.0583	324	27	14	34215	10	97	97
E-F	-145.241	-122.4168	-809.931	-1077.5888	322	30	14	34922	12	96	95

Interface residues

• A-B: ALA159A, ALA159B, ALA163A, ALA163B, ALA164A, ALA164B, ALA166A, ALA166B, ALA170A, ALA170B, ALA209A, ALA209B, ALA250A, ALA250B, ALA254A, ALA254B, ALA255A, ALA255B, ALA301A, ALA301B, ALA303A, ALA303B, ALA304A, ALA304B, ALA360A, ALA360B, ALA361A, ALA361B, ALA432A, ALA432B, ALA452A, ALA452B, ALA461A, ALA461B, ARG137A, ARG137B, ARG171A, ARG171B, ARG185A, ARG185B, ARG203A, ARG203B, ARG228A, ARG228B, ARG298A, ARG298B, ARG302B, ARG311A, ARG457A, ARG457B, ASN115A, ASN115B, ASN154A, ASN154B, ASN158A, ASN158B, ASN188A, ASN188B, ASN197A, ASN197B, ASN257A, ASN257B, ASN392A, ASN392B, ASP111A, ASP111B, ASP136A, ASP136B, ASP172A, ASP172B, ASP183A, ASP183B, ASP196A, ASP196B, ASP201A, ASP201B, ASP204A, ASP204B, ASP299A, ASP299B, ASP300A, ASP300B, ASP354A, ASP354B, ASP390A, ASP390B, ASP449A, ASP449B, ASP464A, ASP464B, GLN251A, GLN251B, GLN364B, GLU109B, GLU178A, GLU178B, GLU210A, GLU210B, GLU253A, GLU253B, GLU262A, GLU262B, GLU306B, GLU433A, GLU433B, GLU443A, GLU443B, GLU454A, GLU454B, GLY160A, GLY160B, GLY161A, GLY161B, GLY168A, GLY168B, GLY184A, GLY184B, GLY199A, GLY199B, GLY208A, GLY208B, GLY211A, GLY211B, GLY248A, GLY248B, GLY252A, GLY252B, GLY256A, GLY256B, GLY386A, GLY386B, GLY389A, GLY389B, GLY391A, GLY391B, GLY427A, GLY427B, GLY428A, GLY428B, GLY435A, GLY435B, GLY437A, GLY437B, HIS387A, HIS387B, HIS394A, HIS394B, HIS434A, HIS434B, ILE207A, ILE207B, ILE249A, ILE249B, ILE308A, ILE308B, ILE355A, ILE355B, ILE393A, ILE393B, ILE430A, ILE430B, ILE436A, ILE436B, ILE453A, ILE453B, ILE459A, ILE459B, LEU141A, LEU141B, LEU143B, LEU155A, LEU155B, LEU165A, LEU165B, LEU169A, LEU169B, LEU175A, LEU175B, LEU181A, LEU181B, LEU189A, LEU189B, LEU190A, LEU190B, LEU193A, LEU193B, LEU202A, LEU202B, LEU205A, LEU205B, LEU213A, LEU213B, LEU223A, LEU223B, LEU244A, LEU244B, LEU247A, LEU247B, LEU258A, LEU258B, LEU294A, LEU294B, LEU305A, LEU305B, LEU388A, LEU388B, LEU424A, LEU424B, LEU426A, LEU426B, LEU444A, LEU444B, LEU455A, LEU455B, LEU462A, LEU462B, LEU463A, LEU463B, LYS192A, LYS192B, LYS194A, LYS194B, LYS195A, LYS195B, LYS222A, LYS222B, LYS226A, LYS226B, LYS245A, LYS245B, LYS440A, LYS440B, LYS448A, LYS448B, LYS450A, LYS450B, LYS460A, LYS460B, LYS473A, LYS473B, PHE206A, PHE206B, PHE224A, PHE224B, PRO225A, PRO225B, PRO227A, PRO227B, PRO297A, PRO297B, PRO358A, PRO358B, PRO363A, PRO363B, SER113A, SER113B, SER114A, SER114B, SER142A, SER142B, SER156A, SER156B, SER191A, SER191B, SER295A, SER295B, SER296A, SER296B, SER307A, SER307B, SER356A, SER356B, SER429A, SER429B, SER431A, SER431B, SER458A, SER458B, THR112A, THR112B, THR116A, THR116B, THR157A, THR157B, THR162A, THR162B, THR198A, THR198B, THR212A, THR212B, THR451A, THR451B, TYR167A, TYR167B, TYR200A, TYR200B, VAL179A, VAL179B, VAL180A, VAL180B, VAL186A, VAL186B, VAL357A, VAL357B, VAL359A, VAL359B, VAL362A, VAL362B, VAL423A, VAL423B, VAL447A, VAL447B, VAL474A, VAL474B, VAL475A, VAL475B, VAL87A, VAL87B
• A-C: ALA229A, ALA229C, ALA301A, ALA301C, ALA303A, ALA303C, ARG228A, ARG228C, ARG298A, ARG298C, ARG302A, ARG302C, ASP299A, ASP299C, ASP300A, ASP300C, GLU231A, GLU231C, GLU306A, GLU306C
• A-D: ALA233A, ALA233D, ALA303A, ALA303D, ALA304A, ALA304D, ALA321A, ALA321D, ALA322A, ALA322D, ARG302A, ARG302D, ARG311A, ARG311D, ASN325A, ASP300A, ASP300D, ASP315A, ASP315D, ASP320A, ASP320D, GLU253A, GLU253D, GLU283A, GLU283D, GLU306A, GLU306D, GLU310A, GLU310D, GLU314A, GLU314D, GLY312A, GLY312D, GLY316A, GLY316D, ILE308A, ILE308D, ILE323A, ILE323D, LEU282A, LEU282D, LEU305A, LEU305D, LEU309A, LEU309D, PHE313A, PHE313D, SER307A, SER307D, TYR286D, VAL235D, VAL318A, VAL318D, VAL319A, VAL319D
• A-E: ALA18A, ALA22A, ALA29A, ALA369E, ALA371E, ALA372E, ALA375E, ALA65A, ARG103A, ARG19A, ARG411E, ARG425E, ARG56A, ASN370E, ASP241E, ASP26A, ASP414E, GLN364E, GLN368E, GLN417E, GLU15A, GLU367E, GLU421E, GLU61A, GLU62A, GLU72A, GLY25A, GLY58A, HIS28A, HIS413E, ILE17A, ILE23A, ILE377E, LEU16A, LEU376E, LEU424E, LEU426E, LEU53A, LEU69A, LYS27A, PHE20A, PHE420E, PRO14A, PRO378E, PRO57A, SER13A, SER59A, THR21A, THR31A, VAL24A, VAL373E, VAL374E, VAL415E, VAL418E, VAL419E, VAL422E, VAL423E
• B-C: ALA233B, ALA233C, ALA303B, ALA303C, ALA304B, ALA304C, ALA321B, ALA321C, ALA322B, ALA322C, ARG302B, ARG302C, ARG311B, ARG311C, ASP300B, ASP300C, ASP315B, ASP315C, ASP320B, ASP320C, GLU253B, GLU253C, GLU283B, GLU283C, GLU306B, GLU306C, GLU310B, GLU310C, GLU314B, GLU314C, GLY312B, GLY312C, GLY316B, GLY316C, ILE308B, ILE308C, ILE323B, ILE323C, LEU282B, LEU282C, LEU305B, LEU305C, LEU309B, LEU309C, PHE234B, PHE313B, PHE313C, SER307B, SER307C, TYR286B, VAL235B, VAL235C, VAL318B, VAL318C, VAL319B, VAL319C
• B-D: ALA229B, ALA229D, ALA301B, ALA301D, ALA303B, ALA303D, ARG228B, ARG228D, ARG298B, ARG298D, ARG302B, ARG302D, ASN325B, ASP299B, ASP299D, ASP300B, ASP300D, GLU231B, GLU306B, GLU306D
• B-F: ALA18F, ALA22F, ALA29F, ALA369B, ALA371B, ALA372B, ALA375B, ALA65F, ARG103F, ARG19F, ARG411B, ARG425B, ARG56F, ASN370B, ASP241B, ASP26F, ASP414B, GLN364B, GLN368B, GLN417B, GLU15F, GLU367B, GLU421B, GLU61F, GLU62F, GLU72F, GLY25F, GLY58F, HIS28F, HIS413B, ILE17F, ILE23F, ILE377B, LEU16F, LEU376B, LEU426B, LEU53F, LEU69F, LYS27F, PHE20F, PHE420B, PRO14F, PRO363B, PRO378B, PRO57F, SER13F, SER59F, THR21F, THR31F, VAL24F, VAL373B, VAL374B, VAL415B, VAL418B, VAL419B, VAL422B, VAL423B
• C-D: ALA159C, ALA159D, ALA163C, ALA163D, ALA164C, ALA164D, ALA166C, ALA166D, ALA170C, ALA170D, ALA174D, ALA209C, ALA209D, ALA250C, ALA250D, ALA254C, ALA254D, ALA255C, ALA255D, ALA301C, ALA301D, ALA303C, ALA303D, ALA304C, ALA304D, ALA360C, ALA360D, ALA361C, ALA361D, ALA432C, ALA432D, ALA452C, ALA452D, ALA461C, ALA461D, ARG137C, ARG137D, ARG171C, ARG171D, ARG185C, ARG185D, ARG203C, ARG203D, ARG228C, ARG228D, ARG298C, ARG298D, ARG311C, ARG311D, ARG457C, ARG457D, ASN115C, ASN115D, ASN154C, ASN154D, ASN158C, ASN158D, ASN188C, ASN188D, ASN197C, ASN197D, ASN257C, ASN257D, ASN392C, ASN392D, ASN470C, ASN470D, ASP111C, ASP111D, ASP136C, ASP136D, ASP172C, ASP172D, ASP183C, ASP183D, ASP196C, ASP196D, ASP201C, ASP201D, ASP204C, ASP204D, ASP241C, ASP299C, ASP299D, ASP300C, ASP300D, ASP354C, ASP354D, ASP390C, ASP390D, ASP449C, ASP449D, ASP464C, ASP464D, GLN251C, GLN251D, GLN364C, GLU109C, GLU178C, GLU178D, GLU210C, GLU210D, GLU253C, GLU253D, GLU262C, GLU262D, GLU433C, GLU433D, GLU443C, GLU443D, GLU454C, GLU454D, GLY160C, GLY160D, GLY161C, GLY161D, GLY168C, GLY168D, GLY184C, GLY184D, GLY199C, GLY199D, GLY208C, GLY208D, GLY211C, GLY211D, GLY214C, GLY214D, GLY248C, GLY248D, GLY252C, GLY252D, GLY256C, GLY256D, GLY386C, GLY386D, GLY389C, GLY389D, GLY391C, GLY391D, GLY427C, GLY427D, GLY428C, GLY428D, GLY435C, GLY435D, GLY437C, GLY437D, HIS387C, HIS387D, HIS394C, HIS394D, HIS434C, HIS434D, ILE207C, ILE207D, ILE249C, ILE249D, ILE308C, ILE308D, ILE355C, ILE355D, ILE393C, ILE393D, ILE430C, ILE430D, ILE436C, ILE436D, ILE453C, ILE453D, ILE459C, ILE459D, LEU141C, LEU141D, LEU143C, LEU143D, LEU155C, LEU155D, LEU165C, LEU165D, LEU169C, LEU169D, LEU175C, LEU175D, LEU181C, LEU181D, LEU189C, LEU189D, LEU190C, LEU190D, LEU193C, LEU193D, LEU202C, LEU202D, LEU205C, LEU205D, LEU213C, LEU213D, LEU223C, LEU223D, LEU244C, LEU244D, LEU247C, LEU247D, LEU258C, LEU258D, LEU294C, LEU294D, LEU305C, LEU305D, LEU388C, LEU388D, LEU424C, LEU424D, LEU426C, LEU426D, LEU444C, LEU444D, LEU455C, LEU455D, LEU462C, LEU462D, LEU463C, LEU463D, LYS192C, LYS192D, LYS194C, LYS194D, LYS195C, LYS195D, LYS222C, LYS222D, LYS226C, LYS226D, LYS245C, LYS245D, LYS440C, LYS440D, LYS448C, LYS448D, LYS450C, LYS450D, LYS460C, LYS460D, LYS473C, LYS473D, PHE206C, PHE206D, PHE224C, PHE224D, PRO225C, PRO225D, PRO227C, PRO227D, PRO297C, PRO297D, PRO358C, PRO358D, PRO363C, PRO363D, SER113C, SER113D, SER114C, SER114D, SER142C, SER142D, SER156C, SER156D, SER191C, SER191D, SER295C, SER295D, SER296C, SER296D, SER307C, SER307D, SER356C, SER356D, SER429C, SER429D, SER431C, SER431D, SER458C, SER458D, THR112C, THR112D, THR116C, THR116D, THR157C, THR157D, THR162C, THR162D, THR198C, THR198D, THR212C, THR212D, THR451C, THR451D, TYR167C, TYR167D, TYR200C, TYR200D, VAL179C, VAL179D, VAL180C, VAL180D, VAL186C, VAL186D, VAL357C, VAL357D, VAL359C, VAL359D, VAL362C, VAL362D, VAL423C, VAL423D, VAL447C, VAL447D, VAL474C, VAL474D, VAL475C, VAL475D, VAL87C, VAL87D
• E-F: ALA159E, ALA159F, ALA163E, ALA163F, ALA164E, ALA164F, ALA166E, ALA166F, ALA170E, ALA170F, ALA209E, ALA209F, ALA250E, ALA250F, ALA254E, ALA254F, ALA255E, ALA255F, ALA301E, ALA301F, ALA303E, ALA303F, ALA304E, ALA304F, ALA360E, ALA360F, ALA361E, ALA361F, ALA432E, ALA432F, ALA452E, ALA452F, ALA461E, ALA461F, ARG137E, ARG137F, ARG171E, ARG171F, ARG185E, ARG185F, ARG203E, ARG203F, ARG228E, ARG228F, ARG298E, ARG298F, ARG302E, ARG302F, ARG311E, ARG457E, ARG457F, ASN115E, ASN115F, ASN154E, ASN154F, ASN158E, ASN158F, ASN188E, ASN188F, ASN197E, ASN197F, ASN257E, ASN257F, ASN392E, ASN392F, ASP111E, ASP111F, ASP136E, ASP136F, ASP172E, ASP172F, ASP183E, ASP183F, ASP196E, ASP196F, ASP201E, ASP201F, ASP204E, ASP204F, ASP299E, ASP299F, ASP300E, ASP300F, ASP354E, ASP354F, ASP390E, ASP390F, ASP449E, ASP449F, ASP464E, ASP464F, GLN251E, GLN251F, GLN364E, GLN364F, GLU109F, GLU178E, GLU178F, GLU210E, GLU210F, GLU253E, GLU253F, GLU262E, GLU262F, GLU306E, GLU433E, GLU433F, GLU443E, GLU443F, GLU454E, GLU454F, GLY160E, GLY160F, GLY161E, GLY161F, GLY168E, GLY168F, GLY184E, GLY184F, GLY199E, GLY199F, GLY208E, GLY208F, GLY211E, GLY211F, GLY214E, GLY248E, GLY248F, GLY252E, GLY252F, GLY256E, GLY256F, GLY386E, GLY386F, GLY389E, GLY389F, GLY391E, GLY391F, GLY427E, GLY427F, GLY428E, GLY428F, GLY435E, GLY435F, GLY437E, GLY437F, HIS387E, HIS387F, HIS394E, HIS394F, HIS434E, HIS434F, ILE207E, ILE207F, ILE249E, ILE249F, ILE308E, ILE308F, ILE355E, ILE355F, ILE393E, ILE393F, ILE430E, ILE430F, ILE436E, ILE436F, ILE453E, ILE453F, ILE459E, ILE459F, LEU141E, LEU141F, LEU143E, LEU143F, LEU155E, LEU155F, LEU165E, LEU165F, LEU169E, LEU169F, LEU175E, LEU175F, LEU181E, LEU181F, LEU189E, LEU189F, LEU190E, LEU190F, LEU193E, LEU193F, LEU202E, LEU202F, LEU205E, LEU205F, LEU213E, LEU213F, LEU223E, LEU223F, LEU244E, LEU244F, LEU247E, LEU247F, LEU258E, LEU258F, LEU294E, LEU294F, LEU305E, LEU305F, LEU388E, LEU388F, LEU424E, LEU424F, LEU426E, LEU426F, LEU444E, LEU444F, LEU455E, LEU455F, LEU462E, LEU462F, LEU463E, LEU463F, LYS192E, LYS192F, LYS194E, LYS194F, LYS195E, LYS195F, LYS222E, LYS222F, LYS226E, LYS226F, LYS245E, LYS245F, LYS440E, LYS440F, LYS448E, LYS448F, LYS450E, LYS450F, LYS460E, LYS460F, LYS473E, LYS473F, PHE206E, PHE206F, PHE224E, PHE224F, PRO225E, PRO225F, PRO227E, PRO227F, PRO297E, PRO297F, PRO358E, PRO358F, PRO363E, PRO363F, SER113E, SER113F, SER114E, SER114F, SER142E, SER142F, SER156E, SER156F, SER191E, SER191F, SER295E, SER295F, SER296E, SER296F, SER307E, SER307F, SER356E, SER356F, SER429E, SER429F, SER431E, SER431F, SER458E, SER458F, THR112E, THR112F, THR116E, THR116F, THR157E, THR157F, THR162E, THR162F, THR198E, THR198F, THR212E, THR212F, THR451E, THR451F, TYR167E, TYR167F, TYR200E, TYR200F, VAL179E, VAL179F, VAL180E, VAL180F, VAL186E, VAL186F, VAL357E, VAL357F, VAL359E, VAL359F, VAL362E, VAL362F, VAL423E, VAL423F, VAL447E, VAL447F, VAL474E, VAL474F, VAL475E, VAL475F, VAL87E, VAL87F