3MV2

crystal structure of a-cop in complex with e-cop

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 203
  • Norm. En. per Res.: -3.3199
• 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
A-B	-68.812	-44.727	-560.405	-673.9441	203	36	17	24501	7	57	47
A-C	0.0	0.0	-0.5557	-0.5557	13	0	0	121	0	9	2
A-D	-26.4864	-46.1502	-134.402	-207.0386	74	28	3	7543	3	29	22
B-D	0.0	6.793	-6.8706	-0.0776	16	0	0	512	0	6	8
C-D	-49.5104	-32.0428	-553.518	-635.0712	199	32	19	24154	6	57	48
C-F	-23.1277	-35.2357	-102.253	-160.6164	72	15	1	5247	2	26	17
D-E	-7.4151	-27.4745	-89.3048	-124.1944	64	9	1	4768	1	23	15
E-F	-31.6547	-21.5625	-514.102	-567.3192	195	29	17	23308	7	56	46

Interface residues

• A-B: ALA128B, ALA132B, ALA167B, ALA174B, ALA180B, ALA245B, ALA251B, ALA273B, ALA283B, ALA43B, ALA916A, ALA917A, ALA919A, ALA922A, ALA923A, ALA93B, ALA95B, ALA963A, ALA970A, ALA97B, ARG1019A, ARG211B, ARG290B, ARG951A, ARG969A, ASN135B, ASN136B, ASN137B, ASN176B, ASN183B, ASN205B, ASN212B, ASN235B, ASN246B, ASN263B, ASN945A, ASP257B, ASP260B, ASP282B, ASP286B, ASP293B, ASP921A, ASP972A, ASP973A, ASP988A, CYS950A, CYS959A, GLN200B, GLN209B, GLN210B, GLN254B, GLN279B, GLN925A, GLN964A, GLN96B, GLU1015A, GLU123B, GLU130B, GLU178B, GLU259B, GLU271B, GLU280B, GLU287B, GLU900A, GLU937A, GLU948A, GLU960A, GLU992A, GLU996A, GLY100B, GLY13B, GLY202B, GLY255B, GLY918A, GLY949A, GLY966A, GLY986A, HIS-1A, HIS207B, HIS270B, HIS272B, HIS277B, HIS278B, ILE1187A, ILE129B, ILE163B, ILE171B, ILE213B, ILE248B, ILE275B, ILE281B, ILE903A, ILE946A, ILE954A, ILE980A, ILE98B, LEU1022A, LEU102B, LEU126B, LEU127B, LEU133B, LEU134B, LEU166B, LEU201B, LEU203B, LEU204B, LEU206B, LEU208B, LEU238B, LEU244B, LEU250B, LEU252B, LEU256B, LEU288B, LEU42B, LEU67B, LEU91B, LEU927A, LEU936A, LEU939A, LEU961A, LEU965A, LEU99B, LYS172B, LYS177B, LYS198B, LYS276B, LYS284B, LYS291B, LYS39B, LYS935A, LYS940A, LYS941A, LYS993A, MET0A, MET253B, PHE15B, PHE173B, PHE243B, PHE274B, PHE285B, PHE35B, PHE66B, PHE920A, PHE943A, PRO-2A, PRO241B, PRO938A, PRO955A, PRO958A, PRO962A, PRO982A, PRO985A, SER105B, SER139B, SER142B, SER169B, SER182B, SER928A, SER956A, THR175B, THR179B, THR181B, THR199B, THR242B, THR249B, THR258B, THR901A, THR944A, THR94B, THR952A, THR957A, THR974A, TRP197B, TRP904A, TYR10B, TYR11B, TYR170B, TYR187B, TYR239B, TYR292B, TYR36B, TYR63B, TYR90B, TYR942A, TYR947A, TYR953A, TYR967A, TYR971A, TYR983A, VAL131B, VAL138B, VAL289B, VAL64B, VAL915A, VAL924A, VAL933A, VAL934A, VAL968A, VAL975A, VAL984A, VAL989A, VAL990A
• A-C: ASP973C, GLN1121A, GLU977C, ILE1125A, LYS1095A, LYS1124A, LYS1128A, LYS906C, MET0C, PHE1094A, SER976C, THR974C, VAL975C
• A-D: ALA1119A, ALA128D, ALA132D, ALA141D, ALA151D, ALA167D, ARG1055A, ARG1118A, ASN1000A, ASN1004A, ASN1084A, ASN135D, ASN137D, ASN147D, ASN150D, ASN995A, ASP103D, ASP114D, ASP146D, CYS109D, GLN1087A, GLN1121A, GLN83D, GLU107D, GLU111D, GLU1120A, GLU168D, GLU178D, GLU992A, GLU996A, GLY1116A, GLY112D, HIS1081A, ILE1008A, ILE1080A, ILE1112A, ILE1113A, ILE113D, ILE129D, ILE144D, ILE171D, LEU1003A, LEU102D, LEU106D, LEU1110A, LYS1002A, LYS1005A, LYS104D, LYS1124A, LYS172D, LYS177D, LYS999A, PHE1001A, PHE1109A, PHE145D, PRO1079A, PRO1117A, SER105D, SER1114A, SER1115A, SER139D, SER142D, SER182D, THR1083A, THR108D, THR140D, THR143D, THR149D, THR175D, TYR148D, TYR998A, VAL110D, VAL131D, VAL138D
• B-D: ALA251B, ASP257B, ASP81D, GLN217B, GLN254B, GLN83D, GLU221B, ILE213B, LEU224B, LEU256B, LEU261B, LEU78D, LYS55D, LYS80D, LYS82D, THR258B
• C-D: ALA128D, ALA132D, ALA167D, ALA174D, ALA180D, ALA245D, ALA251D, ALA273D, ALA283D, ALA43D, ALA916C, ALA917C, ALA919C, ALA922C, ALA923C, ALA926C, ALA93D, ALA95D, ALA963C, ALA970C, ALA97D, ARG1019C, ARG211D, ARG290D, ARG951C, ARG969C, ASN135D, ASN136D, ASN137D, ASN176D, ASN183D, ASN205D, ASN212D, ASN235D, ASN246D, ASN263D, ASN945C, ASP257D, ASP260D, ASP282D, ASP286D, ASP293D, ASP921C, ASP972C, ASP973C, ASP988C, CYS950C, CYS959C, GLN200D, GLN209D, GLN210D, GLN254D, GLN279D, GLN925C, GLN964C, GLN96D, GLU1015C, GLU123D, GLU130D, GLU178D, GLU259D, GLU271D, GLU280D, GLU287D, GLU900C, GLU937C, GLU948C, GLU960C, GLU992C, GLU996C, GLY100D, GLY13D, GLY202D, GLY255D, GLY918C, GLY949C, GLY966C, GLY986C, HIS207D, HIS270D, HIS272D, HIS277D, HIS278D, ILE1187C, ILE129D, ILE163D, ILE171D, ILE213D, ILE248D, ILE275D, ILE281D, ILE946C, ILE954C, ILE980C, ILE98D, LEU1022C, LEU102D, LEU126D, LEU127D, LEU133D, LEU134D, LEU166D, LEU201D, LEU203D, LEU204D, LEU206D, LEU208D, LEU238D, LEU244D, LEU250D, LEU252D, LEU256D, LEU288D, LEU42D, LEU67D, LEU91D, LEU927C, LEU936C, LEU939C, LEU961C, LEU965C, LEU99D, LYS172D, LYS177D, LYS198D, LYS276D, LYS284D, LYS291D, LYS39D, LYS935C, LYS940C, LYS941C, LYS993C, MET0C, MET253D, PHE15D, PHE173D, PHE243D, PHE274D, PHE285D, PHE35D, PHE66D, PHE920C, PHE943C, PRO241D, PRO938C, PRO955C, PRO958C, PRO962C, PRO982C, PRO985C, SER105D, SER139D, SER169D, SER928C, SER956C, THR175D, THR179D, THR181D, THR199D, THR242D, THR249D, THR258D, THR901C, THR944C, THR94D, THR952C, THR957C, THR974C, TRP197D, TRP904C, TYR10D, TYR11D, TYR170D, TYR187D, TYR239D, TYR292D, TYR36D, TYR63D, TYR90D, TYR942C, TYR947C, TYR953C, TYR967C, TYR971C, TYR983C, VAL131D, VAL138D, VAL289D, VAL64D, VAL915C, VAL924C, VAL933C, VAL934C, VAL968C, VAL975C, VAL984C, VAL989C, VAL990C
• C-F: ALA1028C, ALA1119C, ALA180F, ALA214F, ARG1082C, ARG1118C, ARG1123C, ASN1084C, ASN14F, ASN235F, ASN991C, ASN995C, ASN9F, ASP1027C, ASP1030C, ASP226F, ASP988C, GLN1087C, GLN17F, GLN192F, GLN20F, GLN232F, GLN46F, GLU1029C, GLU1108C, GLU1120C, GLU188F, GLU189F, GLU215F, GLU21F, GLU231F, GLU234F, GLY1107C, GLY1116C, GLY218F, HIS1081C, ILE1037C, ILE1080C, ILE1112C, ILE1113C, LEU1033C, LEU1110C, LEU222F, LEU44F, LYS1002C, LYS1032C, LYS1036C, LYS1111C, LYS1126C, LYS233F, LYS24F, PHE1109C, PHE184F, PHE194F, PRO1079C, PRO1117C, PRO195F, SER1078C, SER1114C, SER1115C, SER191F, SER225F, THR1040C, THR1083C, THR181F, THR193F, TYR185F, TYR227F, TYR228F, TYR998C, VAL16F, VAL230F
• D-E: ALA1119E, ALA180D, ALA236D, ARG1082E, ARG1118E, ARG1123E, ASN14D, ASN235D, ASN991E, ASN995E, ASP226D, ASP988E, GLN1087E, GLN17D, GLN192D, GLN20D, GLN232D, GLU1029E, GLU1120E, GLU188D, GLU189D, GLU215D, GLU21D, GLU231D, GLU234D, GLY1107E, GLY1116E, GLY218D, HIS1081E, ILE1080E, ILE1112E, ILE1113E, LEU1033E, LEU1110E, LEU222D, LEU44D, LYS1002E, LYS1032E, LYS1036E, LYS1111E, LYS1126E, LYS233D, LYS24D, PHE1109E, PHE15D, PHE184D, PHE194D, PRO1079E, PRO1117E, PRO195D, SER1078E, SER1114E, SER1115E, SER191D, SER225D, THR1040E, THR1083E, THR181D, THR193D, TYR185D, TYR227D, TYR228D, VAL16D, VAL230D
• E-F: ALA132F, ALA167F, ALA174F, ALA180F, ALA245F, ALA251F, ALA273F, ALA283F, ALA43F, ALA916E, ALA917E, ALA919E, ALA922E, ALA923E, ALA93F, ALA95F, ALA963E, ALA970E, ALA97F, ARG1019E, ARG211F, ARG290F, ARG951E, ARG969E, ASN135F, ASN136F, ASN137F, ASN176F, ASN183F, ASN205F, ASN212F, ASN235F, ASN246F, ASN263F, ASN945E, ASP257F, ASP260F, ASP282F, ASP286F, ASP293F, ASP921E, ASP972E, ASP973E, ASP988E, CYS950E, CYS959E, GLN200F, GLN209F, GLN210F, GLN247F, GLN254F, GLN279F, GLN925E, GLN964E, GLN96F, GLU1015E, GLU123F, GLU130F, GLU178F, GLU259F, GLU271F, GLU280F, GLU287F, GLU900E, GLU937E, GLU948E, GLU960E, GLU992E, GLU996E, GLY100F, GLY13F, GLY202F, GLY255F, GLY918E, GLY949E, GLY966E, GLY986E, HIS207F, HIS270F, HIS272F, HIS277F, HIS278F, ILE129F, ILE163F, ILE171F, ILE213F, ILE248F, ILE275F, ILE281F, ILE946E, ILE954E, ILE980E, ILE98F, LEU1022E, LEU102F, LEU126F, LEU127F, LEU133F, LEU134F, LEU166F, LEU201F, LEU203F, LEU204F, LEU206F, LEU208F, LEU238F, LEU244F, LEU250F, LEU252F, LEU256F, LEU288F, LEU42F, LEU67F, LEU91F, LEU927E, LEU936E, LEU939E, LEU961E, LEU965E, LEU99F, LYS172F, LYS177F, LYS198F, LYS276F, LYS284F, LYS291F, LYS39F, LYS935E, LYS940E, LYS941E, LYS993E, MET0E, MET253F, PHE15F, PHE173F, PHE243F, PHE274F, PHE285F, PHE35F, PHE66F, PHE920E, PHE943E, PRO241F, PRO938E, PRO955E, PRO958E, PRO962E, PRO982E, PRO985E, SER105F, SER139F, SER142F, SER169F, SER928E, SER956E, THR175F, THR179F, THR181F, THR199F, THR242F, THR249F, THR258F, THR944E, THR94F, THR952E, THR957E, THR974E, TRP197F, TRP904E, TYR10F, TYR11F, TYR170F, TYR187F, TYR239F, TYR292F, TYR63F, TYR90F, TYR942E, TYR947E, TYR953E, TYR967E, TYR971E, TYR983E, VAL131F, VAL138F, VAL289F, VAL64F, VAL915E, VAL924E, VAL934E, VAL968E, VAL975E, VAL984E, VAL989E, VAL990E