3D4O

crystal structure of dipicolinate synthase subunit a (np_243269.1) from bacillus halodurans at 2.10 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 75
  • Norm. En. per Res.: -3.4022
• 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	-41.1222	-26.1893	-187.85	-255.1615	75	5	4	7290	4	36	34
A-C	-71.8505	1.5002	-263.265	-333.6154	99	13	9	10026	0	18	28
A-D	-10.7567	-10.2598	-17.7286	-38.7451	29	0	0	584	0	8	5
B-C	-12.7509	-11.0448	-18.5981	-42.3938	31	1	0	629	0	8	5
B-D	-66.4373	10.1053	-251.576	-307.908	101	15	9	9976	0	22	29
C-D	-14.1911	20.5281	-189.42	-183.083	68	4	4	7233	0	28	28

Interface residues

• A-B: ALA129A, ALA129B, ALA137A, ALA137B, ALA170A, ALA170B, ALA191A, ALA191B, ALA194A, ALA194B, ARG125A, ARG125B, ARG164A, ARG164B, ARG171A, ARG171B, ARG192A, ARG192B, ASN132A, ASN132B, ASP126A, ASP126B, ASP127A, ASP127B, ASP188A, ASP188B, GLU186A, GLU186B, GLU195A, GLU195B, GLY163A, GLY163B, GLY166A, GLY166B, GLY197A, GLY197B, HIS202A, HIS202B, ILE128A, ILE128B, ILE130A, ILE130B, ILE134A, ILE134B, ILE193A, ILE193B, ILE279A, ILE279B, LEU162A, LEU162B, LEU189A, LEU189B, LEU190A, LEU190B, LYS172A, LYS172B, LYS205A, LYS286A, LYS286B, PRO200A, PRO200B, SER133A, SER133B, SER168A, SER168B, SER187A, SER187B, TYR131A, TYR131B, VAL165A, VAL165B, VAL169A, VAL169B, VAL283A, VAL283B
• A-C: ALA137A, ALA137C, ALA144A, ALA144C, ALA14A, ALA14C, ALA155A, ALA155C, ALA174A, ALA174C, ALA175A, ALA175C, ALA178A, ALA178C, ALA272A, ALA272C, ALA276A, ALA276C, ARG15C, ARG171A, ARG171C, ARG21A, ARG278A, ARG278C, ASN132A, ASN132C, ASP149A, ASP149C, ASP214C, GLN146A, GLN146C, GLU138A, GLU138C, GLU18A, GLU18C, GLY139A, GLY139C, GLY154A, GLY154C, GLY177A, GLY177C, GLY269A, GLY269C, GLY277A, GLY277C, HIS147A, HIS147C, HIS153A, HIS153C, HIS236A, HIS236C, ILE134A, ILE134C, ILE141A, ILE141C, ILE145A, ILE145C, ILE152A, ILE152C, ILE270A, ILE270C, ILE279A, ILE279C, LEU176A, LEU176C, LEU17A, LEU267A, LEU267C, LYS172A, LYS172C, LYS274A, LYS274C, PHE150A, PHE150C, PHE173A, PHE173C, PRO135A, PRO135C, PRO268A, PRO268C, PRO273A, PRO273C, SER133A, SER133C, SER168A, THR136A, THR136C, THR140A, THR140C, THR148A, THR148C, THR151A, THR151C, THR275A, THR275C, TYR131A, TYR131C, VAL271A, VAL271C
• A-D: ALA174A, ALA174D, ALA175A, ALA178D, ALA191A, ALA191D, ALA194A, ALA194D, ARG192A, ARG192D, GLU195A, GLU195D, GLU199A, GLY154A, GLY154D, GLY177A, GLY177D, GLY197A, GLY197D, HIS153A, HIS153D, ILE193A, ILE193D, LEU176A, LEU176D, LYS179A, LYS179D, PRO200A, PRO200D
• B-C: ALA174B, ALA174C, ALA175B, ALA178B, ALA178C, ALA191B, ALA191C, ALA194B, ALA194C, ARG192B, ARG192C, GLU195B, GLU195C, GLU199B, GLU199C, GLY154B, GLY154C, GLY177B, GLY177C, GLY197B, GLY197C, HIS153B, HIS153C, ILE193B, ILE193C, LEU176B, LEU176C, LYS179B, LYS179C, PRO200B, PRO200C
• B-D: ALA137B, ALA137D, ALA144B, ALA144D, ALA14B, ALA14D, ALA155B, ALA155D, ALA174B, ALA174D, ALA175B, ALA175D, ALA178B, ALA178D, ALA272B, ALA272D, ALA276B, ALA276D, ARG15B, ARG15D, ARG171B, ARG171D, ARG21B, ARG278B, ARG278D, ASN132B, ASN132D, ASP149B, ASP149D, ASP214D, GLN146B, GLN146D, GLU138B, GLU138D, GLU18B, GLU18D, GLY139B, GLY139D, GLY154B, GLY154D, GLY177B, GLY177D, GLY269B, GLY269D, GLY277B, GLY277D, HIS147B, HIS147D, HIS153B, HIS153D, HIS236B, HIS236D, ILE134B, ILE134D, ILE141B, ILE141D, ILE145B, ILE145D, ILE152B, ILE152D, ILE270B, ILE270D, ILE279B, ILE279D, LEU176B, LEU176D, LEU17B, LEU17D, LEU267B, LEU267D, LYS172B, LYS172D, LYS274B, LYS274D, PHE150B, PHE150D, PHE173B, PHE173D, PRO135B, PRO135D, PRO268B, PRO268D, PRO273B, PRO273D, SER133B, SER133D, SER168B, THR136B, THR136D, THR140B, THR140D, THR148B, THR148D, THR151B, THR151D, THR275B, THR275D, TYR131B, TYR131D, VAL271B, VAL271D
• C-D: ALA129C, ALA129D, ALA137C, ALA137D, ALA170C, ALA170D, ALA191C, ALA191D, ALA194C, ALA194D, ARG125C, ARG125D, ARG164C, ARG164D, ARG171C, ARG171D, ARG192C, ARG192D, ASN132C, ASN132D, ASP126C, ASP126D, ASP127C, ASP127D, ASP188C, ASP188D, GLU186C, GLU186D, GLU195C, GLU195D, GLY163C, GLY163D, GLY166C, GLY166D, GLY197C, GLY197D, ILE128C, ILE128D, ILE130C, ILE130D, ILE134C, ILE134D, ILE193C, ILE193D, ILE279C, LEU162C, LEU162D, LEU189C, LEU189D, LEU190C, LEU190D, LYS172C, LYS172D, LYS286D, PRO200C, PRO200D, SER133C, SER133D, SER168C, SER168D, SER187C, SER187D, TYR131C, TYR131D, VAL165C, VAL165D, VAL169C, VAL169D