3R8Y

structure of the bacillus anthracis tetrahydropicolinate succinyltransferase

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 162
  • Norm. En. per Res.: -3.3445
• 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	-57.7338	-39.986	-408.646	-506.3657	155	10	11	15889	4	31	36
A-C	-57.3861	-38.9397	-421.543	-517.8688	164	17	11	16546	4	33	38
A-D	-12.1903	0.0	-47.1952	-59.3855	36	2	7	3112	0	5	6
A-F	0.0	-17.7205	-6.0615	-23.782	10	0	0	354	1	4	3
B-C	-48.1372	-40.2011	-424.78	-513.1183	166	11	11	16553	4	36	38
B-F	0.0	0.0	-0.0029	-0.0029	4	0	0	4	0	2	2
C-D	-18.6958	-6.2742	-86.4319	-111.402	38	6	0	3403	1	6	9
C-F	0.0	0.0	-0.0817	-0.0817	4	0	0	26	0	0	0
D-E	-69.9371	-38.5669	-410.326	-518.83	160	13	11	16353	4	32	37
D-F	-74.1884	-40.0806	-427.547	-541.8161	162	19	11	16807	4	32	39
E-F	-58.8905	-36.1253	-410.848	-505.8638	164	19	11	16433	4	34	39

Interface residues

• A-B: ALA110B, ALA116A, ALA116B, ALA122A, ALA134A, ALA134B, ALA140A, ALA150A, ALA150B, ALA152A, ALA152B, ALA155A, ALA176A, ALA176B, ALA193B, ALA194B, ALA196A, ALA196B, ALA209B, ALA41B, ALA81A, ALA92B, ALA98A, ALA98B, ARG101A, ARG77A, ARG78A, ARG93B, ASN109B, ASN115A, ASN115B, ASN119A, ASN133A, ASN133B, ASN177A, ASN177B, ASN44A, ASN44B, ASN75A, ASN79A, ASP102A, ASP131A, ASP131B, ASP70A, ASP76A, ASP86B, GLN40B, GLU74A, GLU74B, GLU95B, GLY137A, GLY138A, GLY149B, GLY151A, GLY151B, GLY156A, GLY175A, GLY175B, GLY195A, GLY195B, GLY210B, GLY28A, GLY48A, GLY48B, GLY89B, GLY97A, GLY97B, HIS147B, ILE100A, ILE100B, ILE106B, ILE112B, ILE118A, ILE120A, ILE158A, ILE26A, ILE57A, ILE68A, ILE82A, ILE90B, ILE94B, ILE99A, ILE99B, LEU136A, LEU154A, LEU181A, LEU30A, LEU50B, LEU61A, LEU85B, LEU87B, LYS18A, LYS19A, LYS23A, LYS23B, LYS27A, LYS45A, LYS45B, LYS46A, LYS46B, LYS58A, LYS88B, LYS91B, MET113A, MET113B, MET114A, MET114B, MET129B, MET132A, MET132B, MET84A, MET84B, PHE35B, PHE42B, PHE51B, PRO212A, PRO21A, PRO83A, PRO96B, SER47A, SER47B, SER55A, SER80A, THR117A, THR117B, THR199A, THR20A, THR211A, THR211B, TRP54A, TYR25A, TYR25B, TYR71A, VAL111B, VAL135A, VAL135B, VAL153A, VAL153B, VAL178A, VAL178B, VAL179A, VAL179B, VAL180A, VAL197A, VAL197B, VAL198A, VAL22A, VAL24A, VAL39B, VAL43B, VAL49A, VAL49B, VAL69A, VAL72A, VAL73A
• A-C: ALA110A, ALA116A, ALA116C, ALA122C, ALA134A, ALA134C, ALA140C, ALA150A, ALA150C, ALA152A, ALA152C, ALA155C, ALA176A, ALA176C, ALA193A, ALA194A, ALA196A, ALA196C, ALA209A, ALA41A, ALA81C, ALA92A, ALA98A, ALA98C, ARG101C, ARG77C, ARG78C, ARG93A, ASN109A, ASN115A, ASN115C, ASN119C, ASN133A, ASN133C, ASN177A, ASN177C, ASN44A, ASN44C, ASN75C, ASN79C, ASP102C, ASP131A, ASP131C, ASP70C, ASP76C, ASP86A, GLN40A, GLU182C, GLU37A, GLU53C, GLU74A, GLU74C, GLU95A, GLY137C, GLY138C, GLY149A, GLY151A, GLY151C, GLY156C, GLY175A, GLY175C, GLY195A, GLY195C, GLY210A, GLY28C, GLY48A, GLY48C, GLY52A, GLY89A, GLY97A, GLY97C, HIS147A, ILE100A, ILE100C, ILE106A, ILE112A, ILE118C, ILE120C, ILE158C, ILE26C, ILE57C, ILE68C, ILE82C, ILE90A, ILE94A, ILE99A, ILE99C, LEU136C, LEU154C, LEU181C, LEU30A, LEU30C, LEU50A, LEU61C, LEU85A, LEU87A, LYS18C, LYS19C, LYS23A, LYS23C, LYS27C, LYS31A, LYS45A, LYS45C, LYS46A, LYS46C, LYS58C, LYS88A, LYS91A, MET113A, MET113C, MET114A, MET114C, MET129A, MET132A, MET132C, MET84A, MET84C, PHE35A, PHE42A, PHE51A, PHE51C, PRO212C, PRO21C, PRO83C, PRO96A, SER47A, SER47C, SER55C, SER80C, THR117A, THR117C, THR199C, THR20C, THR211A, THR211C, TRP54C, TYR25A, TYR25C, TYR71C, VAL104C, VAL111A, VAL135A, VAL135C, VAL153A, VAL153C, VAL178A, VAL178C, VAL179A, VAL179C, VAL180C, VAL197A, VAL197C, VAL198C, VAL22C, VAL24C, VAL39A, VAL43A, VAL43C, VAL49A, VAL49C, VAL69C, VAL72C, VAL73C
• A-D: ALA176A, ALA190D, ALA193A, ALA193D, ALA194A, ALA209A, ALA209D, ARG214A, ASP171D, GLU218A, GLU218D, GLY175A, GLY189D, GLY210A, ILE174A, ILE216A, ILE216D, ILE219A, ILE219D, LYS188D, LYS217A, LYS217D, PRO204D, THR206D, TYR205D, VAL172D, VAL173A, VAL173D, VAL191A, VAL191D, VAL192A, VAL207A, VAL207D, VAL208A, VAL208D, VAL215A
• A-F: ARG214A, ARG214F, ASP201F, GLU182F, GLU200F, LEU181F, PRO212A, THR199F, THR211A, VAL184F
• B-C: ALA110C, ALA116B, ALA116C, ALA122B, ALA134B, ALA134C, ALA140B, ALA150B, ALA150C, ALA152B, ALA152C, ALA155B, ALA176B, ALA176C, ALA193C, ALA194C, ALA196B, ALA196C, ALA209C, ALA41C, ALA81B, ALA92C, ALA98B, ALA98C, ARG101B, ARG77B, ARG78B, ARG93C, ASN109C, ASN115B, ASN115C, ASN119B, ASN133B, ASN133C, ASN177B, ASN177C, ASN44B, ASN44C, ASN75B, ASN79B, ASP102B, ASP131B, ASP131C, ASP70B, ASP76B, ASP86C, GLN40C, GLU182B, GLU37C, GLU53B, GLU74B, GLU74C, GLU95C, GLY137B, GLY138B, GLY149C, GLY151B, GLY151C, GLY156B, GLY175B, GLY175C, GLY195B, GLY195C, GLY210C, GLY28B, GLY48B, GLY48C, GLY52C, GLY89C, GLY97B, GLY97C, ILE100B, ILE100C, ILE106C, ILE112C, ILE118B, ILE120B, ILE13B, ILE158B, ILE216C, ILE26B, ILE57B, ILE68B, ILE82B, ILE90C, ILE94C, ILE99B, ILE99C, LEU136B, LEU154B, LEU181B, LEU30B, LEU30C, LEU50C, LEU61B, LEU85C, LEU87C, LYS18B, LYS19B, LYS23B, LYS23C, LYS27B, LYS31C, LYS45B, LYS45C, LYS46B, LYS46C, LYS58B, LYS88C, LYS91C, MET113B, MET113C, MET114B, MET114C, MET129C, MET132B, MET132C, MET84B, MET84C, PHE35C, PHE42C, PHE51B, PHE51C, PRO212B, PRO21B, PRO36C, PRO83B, PRO96C, SER47B, SER47C, SER55B, SER80B, THR117B, THR117C, THR199B, THR20B, THR211B, THR211C, TRP54B, TYR25B, TYR25C, TYR71B, VAL104B, VAL111C, VAL135B, VAL135C, VAL153B, VAL153C, VAL178B, VAL178C, VAL179B, VAL179C, VAL180B, VAL197B, VAL197C, VAL198B, VAL22B, VAL24B, VAL39C, VAL43B, VAL43C, VAL49B, VAL49C, VAL69B, VAL72B, VAL73B
• B-F: ARG214B, ARG214F, GLY210B, VAL215F
• C-D: ALA193D, ALA196D, ALA209C, ALA209D, ALA213C, ALA213D, ARG214C, ARG214D, ASP201C, GLU182C, GLU200C, GLU200D, GLU218D, GLY210D, ILE216C, ILE216D, LEU181C, LYS217D, PRO203C, PRO203D, PRO212C, PRO212D, THR199C, THR206C, THR206D, THR211C, THR211D, VAL184C, VAL197C, VAL197D, VAL198C, VAL202C, VAL207C, VAL207D, VAL208C, VAL208D, VAL215C, VAL215D
• C-F: ARG214C, PRO212C, PRO212F, THR211F
• D-E: ALA110E, ALA116D, ALA116E, ALA122D, ALA134D, ALA134E, ALA140D, ALA150D, ALA150E, ALA152D, ALA152E, ALA155D, ALA176D, ALA176E, ALA193E, ALA194E, ALA196D, ALA196E, ALA209E, ALA41E, ALA81D, ALA92E, ALA98D, ALA98E, ARG101D, ARG77D, ARG78D, ARG93E, ASN109E, ASN115D, ASN115E, ASN119D, ASN133D, ASN133E, ASN177D, ASN177E, ASN44D, ASN44E, ASN75D, ASN79D, ASP102D, ASP131D, ASP131E, ASP70D, ASP76D, ASP86E, GLN40E, GLU37E, GLU53D, GLU74D, GLU74E, GLU95E, GLY137D, GLY138D, GLY149E, GLY151D, GLY151E, GLY156D, GLY175D, GLY175E, GLY195D, GLY195E, GLY210E, GLY28D, GLY48D, GLY48E, GLY89E, GLY97D, GLY97E, HIS147E, ILE100D, ILE100E, ILE106E, ILE112E, ILE118D, ILE120D, ILE158D, ILE26D, ILE57D, ILE68D, ILE82D, ILE90E, ILE94E, ILE99D, ILE99E, LEU136D, LEU154D, LEU181D, LEU30D, LEU50E, LEU61D, LEU85E, LEU87E, LYS18D, LYS19D, LYS23D, LYS23E, LYS27D, LYS31E, LYS45D, LYS45E, LYS46D, LYS46E, LYS58D, LYS88E, LYS91E, MET113D, MET113E, MET114D, MET114E, MET129E, MET132D, MET132E, MET84D, MET84E, PHE35E, PHE42E, PHE51D, PHE51E, PRO212D, PRO21D, PRO83D, PRO96E, SER47D, SER47E, SER55D, SER80D, THR117D, THR117E, THR199D, THR20D, THR211D, THR211E, TRP54D, TYR25D, TYR25E, TYR71D, VAL104D, VAL111E, VAL135D, VAL153D, VAL153E, VAL178D, VAL178E, VAL179D, VAL179E, VAL180D, VAL197D, VAL197E, VAL198D, VAL22D, VAL24D, VAL39E, VAL43D, VAL43E, VAL49D, VAL49E, VAL69D, VAL72D, VAL73D
• D-F: ALA110D, ALA116D, ALA116F, ALA122F, ALA134D, ALA134F, ALA140F, ALA150D, ALA150F, ALA152D, ALA152F, ALA155F, ALA176D, ALA176F, ALA193D, ALA194D, ALA196D, ALA196F, ALA209D, ALA41D, ALA81F, ALA92D, ALA98D, ALA98F, ARG101F, ARG77F, ARG78F, ARG93D, ASN109D, ASN115D, ASN115F, ASN119F, ASN133D, ASN133F, ASN177D, ASN177F, ASN44D, ASN44F, ASN75F, ASN79F, ASP102F, ASP131D, ASP131F, ASP70F, ASP76F, ASP86D, GLN40D, GLU53F, GLU74D, GLU74F, GLU95D, GLY137F, GLY138F, GLY149D, GLY151D, GLY151F, GLY156F, GLY175D, GLY175F, GLY195D, GLY195F, GLY210D, GLY28F, GLY48D, GLY48F, GLY52D, GLY89D, GLY97D, GLY97F, HIS147D, ILE100D, ILE100F, ILE106D, ILE112D, ILE118F, ILE120F, ILE158F, ILE26F, ILE57F, ILE68F, ILE82F, ILE90D, ILE94D, ILE99D, ILE99F, LEU136F, LEU154F, LEU181F, LEU30D, LEU30F, LEU50D, LEU61F, LEU85D, LEU87D, LYS18F, LYS19F, LYS23D, LYS23F, LYS27F, LYS31D, LYS45D, LYS45F, LYS46D, LYS46F, LYS58F, LYS88D, LYS91D, MET113D, MET113F, MET114D, MET114F, MET129D, MET132D, MET132F, MET84D, MET84F, PHE35D, PHE42D, PHE51D, PHE51F, PRO212F, PRO21F, PRO83F, PRO96D, SER47D, SER47F, SER55F, SER80F, THR117D, THR117F, THR199F, THR20F, THR211D, THR211F, TRP54F, TYR25D, TYR25F, TYR71F, VAL104F, VAL111D, VAL135D, VAL135F, VAL153D, VAL153F, VAL178D, VAL178F, VAL179D, VAL179F, VAL180F, VAL197D, VAL197F, VAL198F, VAL22F, VAL24F, VAL39D, VAL43D, VAL43F, VAL49D, VAL49F, VAL69F, VAL72F, VAL73F
• E-F: ALA110F, ALA116E, ALA116F, ALA122E, ALA134E, ALA134F, ALA140E, ALA150E, ALA150F, ALA152E, ALA152F, ALA155E, ALA176E, ALA176F, ALA193F, ALA194F, ALA196E, ALA196F, ALA209F, ALA41F, ALA81E, ALA92F, ALA98E, ALA98F, ARG101E, ARG77E, ARG78E, ARG93F, ASN109F, ASN115E, ASN115F, ASN119E, ASN133E, ASN133F, ASN177E, ASN177F, ASN44E, ASN44F, ASN75E, ASN79E, ASP102E, ASP131E, ASP131F, ASP70E, ASP76E, ASP86F, GLN40F, GLU37F, GLU53E, GLU74E, GLU74F, GLU95F, GLY137E, GLY138E, GLY149F, GLY151E, GLY151F, GLY156E, GLY175E, GLY175F, GLY195E, GLY195F, GLY210F, GLY28E, GLY48E, GLY48F, GLY52F, GLY89F, GLY97E, GLY97F, HIS147F, ILE100E, ILE100F, ILE106F, ILE112F, ILE118E, ILE120E, ILE13E, ILE158E, ILE26E, ILE57E, ILE68E, ILE82E, ILE90F, ILE94F, ILE99E, ILE99F, LEU136E, LEU154E, LEU181E, LEU30E, LEU30F, LEU50F, LEU61E, LEU85F, LEU87F, LYS18E, LYS19E, LYS23E, LYS23F, LYS27E, LYS31F, LYS45E, LYS45F, LYS46E, LYS46F, LYS58E, LYS88F, LYS91F, MET113E, MET113F, MET114E, MET114F, MET129F, MET132E, MET132F, MET84E, MET84F, PHE35F, PHE42F, PHE51E, PHE51F, PRO212E, PRO21E, PRO83E, PRO96F, SER47E, SER47F, SER55E, SER80E, THR117E, THR117F, THR199E, THR20E, THR211E, THR211F, TRP54E, TYR25E, TYR25F, TYR71E, VAL104E, VAL111F, VAL135E, VAL135F, VAL153E, VAL153F, VAL178E, VAL178F, VAL179E, VAL179F, VAL180E, VAL197E, VAL197F, VAL198E, VAL22E, VAL24E, VAL39F, VAL43E, VAL43F, VAL49E, VAL49F, VAL69E, VAL72E, VAL73E