2RIR

crystal structure of dipicolinate synthase, a chain, from bacillus subtilis

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 83
  • Norm. En. per Res.: -3.409
• Hub Node: B(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	-68.6408	-18.5812	-201.739	-288.961	92	11	8	8621	0	13	18
A-C	-24.7176	-13.2297	-20.8386	-58.7859	30	2	0	602	0	2	2
A-D	-39.1342	-56.3944	-187.421	-282.9497	83	12	6	7542	3	28	28
B-C	-22.3204	-39.132	-178.706	-240.1584	84	12	6	7861	3	30	28
B-D	-25.8166	-13.6421	-19.4578	-58.9165	29	2	0	607	0	2	2
B-G	-5.4224	-15.2004	-7.0562	-27.679	10	0	0	233	1	5	5
B-H	0.0	7.1654	-0.2503	6.9151	7	0	0	57	0	5	6
C-D	-71.4359	-1.7885	-226.825	-300.0494	97	18	8	8841	0	14	19
C-E	0.0	0.0	-0.1911	-0.1911	8	0	0	57	0	1	0
E-F	-21.6822	-47.1712	-184.628	-253.4814	83	10	6	7667	3	29	28
E-G	-69.7919	-11.9075	-216.124	-297.8233	91	10	9	8621	0	13	18
E-H	-23.6083	-14.3786	-19.7034	-57.6903	28	2	0	611	0	2	2
F-G	-18.5853	-12.4338	-19.5092	-50.5282	28	2	0	597	0	2	2
F-H	-69.5895	-14.0486	-220.762	-304.4001	98	15	8	8886	0	13	19
G-H	-32.8141	-66.5465	-174.349	-273.7096	84	17	6	7593	3	29	28

Interface residues

• A-B: ALA144A, ALA144B, ALA14A, ALA174A, ALA174B, ALA175A, ALA175B, ALA178A, ALA178B, ALA272A, ALA272B, ALA276A, ALA276B, ARG171A, ARG171B, ARG21A, ASP149A, ASP149B, ASP214A, ASP214B, GLN146A, GLN146B, GLN278A, GLN278B, GLU138A, GLU138B, GLU18A, GLY139A, GLY139B, GLY154A, GLY154B, GLY177A, GLY177B, GLY269A, GLY277A, GLY277B, HIS153A, HIS153B, ILE134A, ILE134B, ILE141A, ILE141B, ILE145A, ILE145B, ILE152A, ILE152B, ILE215B, ILE270A, ILE270B, ILE279A, ILE279B, LEU143A, LEU143B, LEU176A, LEU176B, LYS236A, LYS236B, LYS274A, LYS274B, PHE173A, PHE173B, PRO135A, PRO135B, PRO268A, PRO268B, PRO273A, PRO273B, SER133B, SER155A, SER155B, THR136A, THR136B, THR140A, THR140B, THR148A, THR148B, THR151A, THR151B, THR168A, THR168B, THR172A, THR172B, THR275A, THR275B, TYR131A, TYR131B, TYR150A, TYR150B, VAL137A, VAL137B, VAL271A, VAL271B
• A-C: ALA174A, ALA174C, ALA175A, ALA178A, ALA178C, ALA191A, ALA191C, ARG192A, ARG192C, ASN179A, ASN179C, GLU195A, GLU195C, GLY154A, GLY154C, GLY177A, GLY177C, GLY197A, GLY197C, HIS153A, HIS153C, ILE193A, ILE193C, LEU176A, LEU176C, LEU198A, LEU198C, THR151C, THR194A, THR194C
• A-D: ALA129A, ALA129D, ALA170A, ALA170D, ALA188A, ALA188D, ALA191A, ALA191D, ARG125A, ARG125D, ARG164A, ARG164D, ARG171A, ARG171D, ARG185A, ARG185D, ARG192A, ARG192D, ASN132A, ASN132D, ASN282A, ASP126A, ASP126D, ASP127A, ASP127D, GLU195A, GLU195D, GLY163A, GLY163D, GLY166A, GLY166D, GLY197A, GLY197D, HIS189A, HIS189D, HIS202A, HIS202D, ILE128A, ILE128D, ILE130A, ILE130D, ILE134A, ILE134D, ILE169A, ILE169D, ILE193A, ILE193D, ILE279A, ILE279D, LEU162A, LEU162D, LEU190A, LEU190D, LEU198A, LEU198D, LEU287A, LEU287D, LYS286A, LYS286D, PRO135A, PRO135D, PRO200A, PRO200D, SER133A, SER133D, SER186A, SER186D, SER187A, SER187D, THR165A, THR165D, THR168A, THR168D, THR172A, THR172D, THR194A, THR194D, TYR131A, TYR131D, VAL137A, VAL137D, VAL283A, VAL283D
• B-C: ALA129B, ALA129C, ALA170B, ALA170C, ALA188B, ALA188C, ALA191B, ALA191C, ARG125B, ARG125C, ARG164B, ARG164C, ARG171B, ARG171C, ARG185B, ARG185C, ARG192B, ARG192C, ASN132B, ASN132C, ASN282C, ASP126B, ASP126C, ASP127B, ASP127C, GLU195B, GLU195C, GLU290B, GLY163B, GLY163C, GLY166B, GLY166C, GLY197B, GLY197C, HIS189B, HIS189C, HIS202B, HIS202C, ILE128B, ILE128C, ILE130B, ILE130C, ILE134B, ILE134C, ILE169B, ILE169C, ILE193B, ILE193C, ILE279B, ILE279C, LEU162B, LEU162C, LEU190B, LEU190C, LEU198B, LEU198C, LEU287B, LEU287C, LYS286B, LYS286C, PRO135B, PRO135C, PRO200B, PRO200C, SER133B, SER133C, SER186B, SER186C, SER187B, SER187C, THR165B, THR165C, THR168B, THR168C, THR172B, THR172C, THR194B, THR194C, TYR131B, TYR131C, VAL137B, VAL137C, VAL283B, VAL283C
• B-D: ALA174B, ALA174D, ALA175B, ALA178B, ALA178D, ALA191B, ALA191D, ARG192B, ARG192D, ASN179B, ASN179D, GLU195B, GLU195D, GLY154B, GLY154D, GLY177B, GLY177D, GLY197B, GLY197D, HIS153B, HIS153D, ILE193B, ILE193D, LEU176B, LEU176D, LEU198B, LEU198D, THR194B, THR194D
• B-G: ARG185G, ASN226G, ASP204G, GLN114B, GLU205G, HIS202G, ILE224G, LEU206G, LYS116B, THR203G
• B-H: ALA293H, ASP88B, GLN114B, GLN87B, GLU294H, GLU295H, LYS86B
• C-D: ALA144C, ALA144D, ALA14C, ALA14D, ALA174C, ALA174D, ALA175C, ALA175D, ALA178C, ALA178D, ALA272C, ALA272D, ALA276C, ALA276D, ARG15D, ARG171C, ARG171D, ARG21C, ARG21D, ASN132C, ASP149C, ASP149D, ASP214C, ASP214D, GLN146C, GLN146D, GLN278C, GLN278D, GLU138C, GLU138D, GLU18C, GLU18D, GLY139C, GLY139D, GLY154C, GLY154D, GLY177C, GLY177D, GLY269C, GLY269D, GLY277C, GLY277D, HIS153C, HIS153D, ILE134C, ILE134D, ILE141C, ILE141D, ILE145C, ILE145D, ILE152C, ILE152D, ILE270C, ILE270D, ILE279C, ILE279D, LEU143C, LEU143D, LEU176C, LEU176D, LYS236C, LYS236D, LYS274C, LYS274D, PHE173C, PHE173D, PRO135C, PRO135D, PRO268C, PRO268D, PRO273C, PRO273D, SER133C, SER155C, SER155D, THR136C, THR136D, THR140C, THR140D, THR148C, THR148D, THR151C, THR151D, THR168C, THR168D, THR172C, THR172D, THR275C, THR275D, TYR131C, TYR131D, TYR150C, TYR150D, VAL137C, VAL137D, VAL271C, VAL271D
• C-E: ASP39E, GLN114C, GLY41E, GLY44E, LYS116C, LYS47E, PHE42E, THR43E
• E-F: ALA129E, ALA129F, ALA170E, ALA170F, ALA188E, ALA188F, ALA191E, ALA191F, ARG125E, ARG125F, ARG164E, ARG164F, ARG171E, ARG171F, ARG185E, ARG185F, ARG192E, ARG192F, ASN132E, ASN132F, ASP126E, ASP126F, ASP127E, ASP127F, GLU195E, GLU195F, GLU290E, GLY163E, GLY163F, GLY166E, GLY166F, GLY197E, GLY197F, HIS189E, HIS189F, HIS202E, HIS202F, ILE128E, ILE128F, ILE130E, ILE130F, ILE134E, ILE134F, ILE169E, ILE169F, ILE193E, ILE193F, ILE279E, ILE279F, LEU162E, LEU162F, LEU190E, LEU190F, LEU198E, LEU198F, LEU287E, LEU287F, LYS286E, LYS286F, PRO135E, PRO135F, PRO200E, PRO200F, SER133E, SER133F, SER186E, SER186F, SER187E, SER187F, THR165E, THR165F, THR168E, THR168F, THR172E, THR172F, THR194E, THR194F, TYR131E, TYR131F, VAL137E, VAL137F, VAL283E, VAL283F
• E-G: ALA144E, ALA144G, ALA14E, ALA14G, ALA174E, ALA174G, ALA175E, ALA175G, ALA178E, ALA178G, ALA272E, ALA272G, ALA276E, ALA276G, ARG171E, ARG171G, ASP149E, ASP149G, ASP214E, GLN146E, GLN146G, GLN278E, GLN278G, GLU138E, GLU138G, GLU18G, GLY139E, GLY139G, GLY154E, GLY154G, GLY177E, GLY177G, GLY269E, GLY269G, GLY277E, GLY277G, HIS153E, HIS153G, ILE134E, ILE134G, ILE141E, ILE141G, ILE145E, ILE145G, ILE152E, ILE152G, ILE270E, ILE270G, ILE279E, ILE279G, LEU143E, LEU143G, LEU176E, LEU176G, LYS236E, LYS236G, LYS274E, LYS274G, PHE173E, PHE173G, PRO135E, PRO135G, PRO268E, PRO268G, PRO273E, PRO273G, SER133E, SER155E, SER155G, THR136E, THR136G, THR140E, THR140G, THR148E, THR148G, THR151E, THR151G, THR168E, THR168G, THR172E, THR172G, THR275E, THR275G, TYR131E, TYR131G, TYR150E, TYR150G, VAL137E, VAL137G, VAL271E, VAL271G
• E-H: ALA174E, ALA174H, ALA178E, ALA178H, ALA191E, ALA191H, ARG192E, ARG192H, ASN179E, ASN179H, GLU195E, GLU195H, GLY154E, GLY154H, GLY177E, GLY177H, GLY197E, GLY197H, HIS153E, HIS153H, ILE193E, ILE193H, LEU176E, LEU176H, LEU198E, LEU198H, THR194E, THR194H
• F-G: ALA174F, ALA174G, ALA175F, ALA178F, ALA178G, ALA191F, ALA191G, ARG192F, ARG192G, ASN179F, ASN179G, GLU195F, GLU195G, GLY154F, GLY154G, GLY177F, GLY177G, GLY197F, GLY197G, HIS153F, HIS153G, ILE193F, ILE193G, LEU176F, LEU198F, LEU198G, THR194F, THR194G
• F-H: ALA144F, ALA144H, ALA14F, ALA14H, ALA174F, ALA174H, ALA175F, ALA175H, ALA178F, ALA178H, ALA272F, ALA272H, ALA276F, ALA276H, ARG15F, ARG171F, ARG171H, ARG21F, ASN132F, ASN132H, ASP149F, ASP149H, ASP214F, ASP214H, GLN146F, GLN146H, GLN278F, GLN278H, GLU138F, GLU138H, GLU18F, GLU18H, GLY139F, GLY139H, GLY154F, GLY154H, GLY177F, GLY177H, GLY269F, GLY269H, GLY277F, GLY277H, HIS153F, HIS153H, ILE134F, ILE134H, ILE141F, ILE141H, ILE145F, ILE145H, ILE152F, ILE152H, ILE270F, ILE270H, ILE279F, ILE279H, LEU143F, LEU143H, LEU176F, LEU176H, LEU17F, LYS236F, LYS236H, LYS274F, LYS274H, PHE173F, PHE173H, PRO135F, PRO135H, PRO268F, PRO268H, PRO273F, PRO273H, SER133F, SER155F, SER155H, THR136F, THR136H, THR140F, THR140H, THR148F, THR148H, THR151F, THR151H, THR168F, THR168H, THR172F, THR172H, THR275F, THR275H, TYR131F, TYR131H, TYR150F, TYR150H, VAL137F, VAL137H, VAL271F, VAL271H
• G-H: ALA129G, ALA129H, ALA170G, ALA170H, ALA188G, ALA188H, ALA191G, ALA191H, ARG125G, ARG125H, ARG164G, ARG164H, ARG171G, ARG171H, ARG185G, ARG185H, ARG192G, ARG192H, ASN132G, ASN132H, ASN282G, ASP126G, ASP126H, ASP127G, ASP127H, GLU195G, GLU195H, GLU290G, GLU290H, GLY163G, GLY163H, GLY166G, GLY166H, GLY197G, GLY197H, HIS189G, HIS189H, HIS202G, HIS202H, ILE128G, ILE128H, ILE130G, ILE130H, ILE134G, ILE134H, ILE169G, ILE169H, ILE193G, ILE193H, ILE279G, ILE279H, LEU162G, LEU162H, LEU190G, LEU190H, LEU198G, LEU198H, LEU287G, LEU287H, LYS286G, LYS286H, PRO135H, PRO200G, PRO200H, SER133G, SER133H, SER186G, SER186H, SER187G, SER187H, THR165G, THR165H, THR168G, THR168H, THR172G, THR172H, THR194G, THR194H, TYR131G, TYR131H, VAL137G, VAL137H, VAL283G, VAL283H