1RZR

crystal structure of transcriptional regulator- phosphoprotein-dna complex

• Total interactions analyzed: 66
• Total true interactions: 10
• Strongest Interaction:
  • Chains: G-T
  • Int. Res.: 10
  • Norm. En. per Res.: -6.8313
• Hub Node: A(3)

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
G-C	-70.1049	-72.6581	-346.556	-489.319	180	66	18	19865	10	38	52
G-T	-9.591	-54.7368	-3.9848	-68.3125	10	3	0	341	3	3	3
G-L	0.0	14.0854	-142.837	-128.7516	70	26	4	6416	2	14	16
C-T	-5.9763	8.4604	-135.465	-132.981	75	19	4	6548	1	14	15
C-L	0.0	-37.7786	-4.0926	-41.8712	9	0	0	248	0	2	3
A-D	-63.4786	-62.4105	-372.51	-498.399	180	34	18	18568	9	35	49
A-Y	0.0	-16.79	-2.3966	-19.1866	12	0	0	165	1	5	5
A-S	-9.467	5.4011	-150.318	-154.3839	68	27	4	6472	1	14	15
D-Y	0.0	-16.5744	-126.031	-142.6054	74	22	4	6423	4	15	18
D-S	0.0	-38.2163	-4.0337	-42.2501	11	0	0	218	2	2	3

Interface residues

• G-C: ALA50C, ALA50G, ALA52C, ALA52G, ALA56C, ALA56G, ALA76C, ALA76G, ALA79C, ALA79G, ALA86C, ALA86G, ARG278C, ARG278G, ARG284C, ARG284G, ARG47C, ARG47G, ARG53C, ARG53G, ARG80C, ARG80G, ASN110C, ASN110G, ASN111C, ASN111G, ASN2C, ASN2G, ASN49C, ASN49G, ASN72C, ASN72G, ASN92C, ASN92G, ASN97C, ASN97G, ASP220C, ASP224C, ASP224G, ASP260G, ASP69C, ASP69G, ASP84C, ASP84G, ASP99C, ASP99G, GLN100C, GLN100G, GLN116C, GLN116G, GLN259C, GLN259G, GLN286C, GLN286G, GLN329C, GLU134C, GLU134G, GLU249C, GLU249G, GLU42G, GLU77C, GLU77G, GLU83C, GLU83G, GLY114C, GLY114G, GLY54C, GLY54G, GLY64G, GLY81C, GLY81G, HIS107C, HIS107G, HIS256C, HIS256G, ILE120C, ILE120G, ILE227C, ILE227G, ILE255C, ILE67C, ILE67G, ILE70C, ILE70G, ILE73C, ILE73G, ILE82C, ILE82G, ILE85C, ILE93C, ILE93G, ILE94C, ILE94G, LEU106C, LEU106G, LEU108C, LEU108G, LEU109C, LEU109G, LEU113C, LEU113G, LEU252C, LEU252G, LEU279C, LEU279G, LEU55C, LEU55G, LEU78C, LEU78G, LEU95C, LEU95G, LYS104C, LYS104G, LYS115C, LYS115G, LYS137C, LYS137G, LYS58C, LYS58G, LYS59C, LYS59G, LYS90C, LYS90G, PHE74C, PHE74G, PRO139C, PRO139G, PRO285C, PRO285G, PRO48C, PRO48G, PRO68C, PRO68G, SER138C, SER138G, SER57C, SER57G, SER71C, SER71G, SER96C, SER96G, SER98C, SER98G, THR222C, THR222G, THR247G, THR277C, THR277G, THR281C, THR281G, THR60C, THR60G, THR61C, THR61G, THR62C, THR62G, THR87C, THR87G, TYR221C, TYR221G, TYR223C, TYR223G, TYR295C, TYR295G, TYR75C, TYR75G, TYR91C, TYR91G, VAL117C, VAL117G, VAL140C, VAL140G, VAL283C, VAL283G, VAL51C, VAL51G, VAL63C, VAL63G, VAL65C, VAL65G
• G-T: ARG17T, ASN72G, ASN97G, ASP69G, ASP99G, GLN24T, ILE70G, LYS104G, PRO68G, SER71G
• G-L: ALA16L, ALA19L, ALA299G, ALA301G, ALA86G, ARG17L, ARG278G, ARG303G, ARG324G, ARG328G, ARG80G, ASN43L, ASP11L, ASP296G, ASP315G, ASP84G, GLN24L, GLN320G, GLN56L, GLU326G, GLU77G, GLU83G, GLY13L, GLY298G, GLY49L, GLY54L, GLY81G, HIS15L, HIS323G, ILE14L, ILE159G, ILE297G, ILE325G, ILE47L, ILE55L, ILE85G, LEU304G, LEU305G, LEU321G, LEU53L, LYS307G, LYS40L, LYS45L, LYS57L, MET48L, MET51L, PHE37L, PRO18L, PRO293G, PRO322G, SER12L, SER27L, SER316G, SER317G, SER52L, THR20L, THR21L, THR306G, THR87G, TYR295G, TYR308G, TYR89G, VAL143G, VAL157G, VAL23L, VAL291G, VAL300G, VAL314G, VAL319G, VAL50L
• C-T: ALA16T, ALA19T, ALA299C, ALA301C, ALA59T, ALA86C, ARG17T, ARG303C, ARG324C, ARG328C, ARG80C, ASN276C, ASN43T, ASP11T, ASP296C, ASP315C, ASP84C, GLN24T, GLN320C, GLN56T, GLU326C, GLU77C, GLU83C, GLY13T, GLY298C, GLY49T, GLY54T, GLY58T, GLY81C, HIS15T, HIS323C, ILE14T, ILE297C, ILE318C, ILE325C, ILE47T, ILE55T, ILE85C, LEU304C, LEU305C, LEU321C, LEU53T, LYS307C, LYS40T, LYS45T, LYS57T, LYS90C, MET48T, MET51T, PHE327C, PHE37T, PRO18T, PRO293C, PRO322C, SER12T, SER156C, SER27T, SER316C, SER317C, SER52T, THR20T, THR21T, THR281C, THR306C, THR87C, TYR295C, TYR89C, VAL143C, VAL157C, VAL23T, VAL291C, VAL300C, VAL314C, VAL319C, VAL50T
• C-L: ARG17L, ASN72C, ASN97C, ASP69C, ASP99C, ILE70C, LYS104C, PRO68C, SER71C
• A-D: ALA50A, ALA50D, ALA52A, ALA52D, ALA56A, ALA56D, ALA76A, ALA76D, ALA79A, ALA79D, ALA86A, ALA86D, ARG278A, ARG278D, ARG284A, ARG284D, ARG47A, ARG47D, ARG53A, ARG53D, ARG80A, ARG80D, ASN101A, ASN101D, ASN110A, ASN110D, ASN111A, ASN111D, ASN2A, ASN2D, ASN49A, ASN49D, ASN72A, ASN72D, ASN92A, ASN92D, ASN97A, ASN97D, ASP118D, ASP220D, ASP224A, ASP224D, ASP260A, ASP260D, ASP69A, ASP69D, ASP84A, ASP84D, ASP99A, ASP99D, GLN100A, GLN100D, GLN116A, GLN116D, GLN259A, GLN259D, GLN286A, GLN286D, GLN329D, GLU134A, GLU134D, GLU249A, GLU249D, GLU77A, GLU77D, GLU83A, GLU83D, GLY114A, GLY114D, GLY54A, GLY54D, GLY64A, GLY64D, GLY81A, GLY81D, HIS107A, HIS107D, HIS256A, HIS256D, ILE120D, ILE227A, ILE227D, ILE255D, ILE67A, ILE67D, ILE70A, ILE70D, ILE73A, ILE73D, ILE82A, ILE82D, ILE93A, ILE93D, ILE94A, ILE94D, LEU108A, LEU108D, LEU109A, LEU109D, LEU113A, LEU113D, LEU252A, LEU252D, LEU279A, LEU279D, LEU55A, LEU55D, LEU78A, LEU78D, LEU95A, LEU95D, LYS104A, LYS104D, LYS115A, LYS115D, LYS137A, LYS137D, LYS58A, LYS58D, LYS59A, LYS59D, LYS90A, LYS90D, MET1D, PHE74A, PHE74D, PRO139A, PRO139D, PRO285A, PRO285D, PRO48A, PRO48D, PRO68A, PRO68D, SER138A, SER138D, SER225D, SER280A, SER280D, SER57A, SER57D, SER71A, SER71D, SER96A, SER96D, SER98A, SER98D, THR222D, THR277D, THR281A, THR281D, THR60A, THR60D, THR61A, THR61D, THR62A, THR62D, THR87A, THR87D, TYR221D, TYR223A, TYR223D, TYR295A, TYR295D, TYR75A, TYR75D, TYR91A, TYR91D, VAL117A, VAL117D, VAL140A, VAL140D, VAL283A, VAL283D, VAL51A, VAL51D, VAL63A, VAL63D, VAL65A, VAL65D
• A-Y: ALA16Y, ARG17Y, ASN101A, ASN97A, ASP11Y, ASP224A, ASP69A, ASP99A, GLN24Y, LYS104A, SER71A, SER98A
• A-S: ALA16S, ALA19S, ALA299A, ALA301A, ALA86A, ARG17S, ARG303A, ARG324A, ARG80A, ASN276A, ASN43S, ASP11S, ASP296A, ASP315A, ASP84A, GLN24S, GLN320A, GLN56S, GLU326A, GLU77A, GLU83A, GLY13S, GLY298A, GLY49S, GLY54S, GLY81A, HIS15S, HIS323A, ILE14S, ILE297A, ILE325A, ILE47S, ILE55S, ILE85A, LEU304A, LEU305A, LEU321A, LEU53S, LYS307A, LYS40S, LYS45S, LYS57S, MET48S, MET51S, PHE37S, PRO155A, PRO18S, PRO293A, PRO322A, SER12S, SER27S, SER316A, SER317A, SER52S, THR20S, THR21S, THR306A, THR87A, TYR295A, TYR308A, TYR89A, VAL157A, VAL23S, VAL291A, VAL300A, VAL314A, VAL319A, VAL50S
• D-Y: ALA10Y, ALA16Y, ALA19Y, ALA299D, ALA301D, ALA59Y, ALA86D, ARG17Y, ARG278D, ARG303D, ARG324D, ARG328D, ARG80D, ASN276D, ASN43Y, ASP11Y, ASP296D, ASP84D, GLN24Y, GLN320D, GLN56Y, GLU326D, GLU77D, GLU83D, GLY13Y, GLY298D, GLY49Y, GLY54Y, GLY58Y, GLY81D, HIS15Y, HIS323D, ILE14Y, ILE297D, ILE318D, ILE47Y, ILE55Y, ILE85D, LEU304D, LEU305D, LEU321D, LEU53Y, LYS307D, LYS45Y, LYS57Y, LYS90D, MET48Y, MET51Y, PHE37Y, PRO155D, PRO18Y, PRO293D, PRO322D, SER12Y, SER156D, SER27Y, SER316D, SER317D, SER52Y, THR20Y, THR21Y, THR306D, THR87D, TYR295D, TYR308D, TYR89D, VAL143D, VAL157D, VAL23Y, VAL291D, VAL300D, VAL314D, VAL319D, VAL50Y
• D-S: ARG17S, ASN101D, ASN97D, ASP69D, ASP99D, GLN24S, ILE70D, LYS104D, PRO68D, SER71D, SER98D