2EHH

crystal structure of dihydrodipicolinate synthase from aquifex aeolicus

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 97
  • Norm. En. per Res.: -3.3839
• Hub Node: A(2)

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-C	0.0	12.3385	297.562	309.9005	135	12	4	16446	0	40	30
A-E	-16.1389	-52.1101	-259.989	-328.238	97	7	8	10715	4	42	48
C-D	-11.8364	-59.3647	-241.653	-312.854	93	13	8	10343	7	43	48
D-E	-13.0735	13.7039	295.777	296.4074	134	10	4	16595	0	39	30

Interface residues

• A-C: ALA80A, ALA80C, ALA84A, ALA84C, ARG112A, ARG112C, ARG137A, ARG137C, ARG267A, ARG267C, ASN107A, ASN107C, ASN133A, ASN133C, ASN248A, ASN248C, ASN277A, ASN277C, ASN79A, ASN79C, CYS139A, CYS139C, CYS41A, CYS41C, GLN111A, GLN111C, GLU116A, GLU116C, GLU246A, GLU246C, GLU272A, GLU272C, GLU46A, GLU46C, GLU83A, GLU83C, GLY113A, GLY113C, GLY42A, GLY42C, GLY45A, GLY77A, GLY78A, GLY78C, HIS117A, HIS117C, HIS55A, HIS82A, HIS82C, ILE134A, ILE134C, ILE245A, ILE245C, ILE250A, ILE250C, LEU100A, LEU100C, LEU114A, LEU114C, LEU268A, LEU268C, LEU270A, LEU270C, LEU50A, LEU50C, LYS108A, LYS108C, LYS119A, LYS119C, LYS161A, LYS161C, MET273A, MET273C, PHE118A, PHE118C, PHE52C, PRO104A, PRO104C, PRO109A, PRO109C, PRO135A, PRO135C, PRO249A, PRO249C, PRO251A, PRO251C, PRO269A, PRO269C, PRO275C, PRO48A, PRO48C, SER136A, SER136C, SER274A, SER274C, SER47A, SER47C, THR110A, THR110C, THR120A, THR120C, THR138A, THR138C, THR247A, THR247C, THR271A, THR271C, THR43A, THR43C, THR44A, THR44C, THR49A, THR49C, THR51A, THR51C, THR81A, THR81C, TYR105A, TYR105C, TYR106A, TYR106C, TYR115A, TYR115C, TYR132A, TYR132C, VAL102A, VAL102C, VAL103A, VAL103C, VAL121A, VAL121C, VAL140A, VAL140C, VAL85A, VAL85C
• A-E: ALA196A, ALA196E, ALA199A, ALA199E, ALA221A, ALA221E, ALA229A, ALA229E, ARG169A, ARG169E, ARG176A, ARG176E, ARG227A, ARG227E, ARG230A, ARG230E, ASN166A, ASN166E, ASP168A, ASP168E, ASP187A, ASP187E, ASP188A, ASP188E, ASP225A, ASP225E, ASP238A, ASP238E, GLU172A, GLU172E, GLU223A, GLU223E, GLU231A, GLU231E, GLY198A, GLY198E, GLY224A, GLY224E, HIS233A, HIS233E, HIS237A, HIS237E, ILE170A, ILE170E, ILE173A, ILE173E, LEU190A, LEU190E, LEU192A, LEU192E, LEU197A, LEU197E, LEU217A, LEU217E, LEU222A, LEU222E, LEU236A, LEU236E, LEU239A, LEU239E, LYS175A, LYS175E, LYS241A, LYS241E, LYS287A, LYS287E, MET167A, MET167E, MET194A, MET194E, MET195A, MET195E, PHE226A, PHE226E, PHE240A, PHE240E, PRO165A, PRO165E, PRO193A, PRO193E, SER171A, SER171E, SER189A, SER189E, THR164A, THR164E, THR191A, THR191E, TYR234A, TYR234E, TYR235A, TYR235E, TYR288A, TYR288E, VAL174A, VAL174E, VAL183A
• C-D: ALA196C, ALA196D, ALA199C, ALA199D, ALA221C, ALA221D, ALA229C, ALA229D, ARG169C, ARG169D, ARG176C, ARG176D, ARG227C, ARG227D, ARG230C, ARG230D, ASN166C, ASN166D, ASP168C, ASP168D, ASP187C, ASP187D, ASP188C, ASP225C, ASP225D, ASP238C, ASP238D, GLU172C, GLU172D, GLU223C, GLU223D, GLY198C, GLY198D, GLY224C, GLY224D, HIS233C, HIS233D, HIS237C, HIS237D, ILE170C, ILE170D, ILE173C, ILE173D, LEU190C, LEU190D, LEU192C, LEU192D, LEU197C, LEU197D, LEU217C, LEU217D, LEU222C, LEU222D, LEU236C, LEU236D, LEU239C, LYS175C, LYS175D, LYS241C, LYS241D, LYS287C, MET167C, MET167D, MET194C, MET194D, MET195C, MET195D, PHE226C, PHE226D, PHE240C, PHE240D, PRO165C, PRO165D, PRO193C, PRO193D, SER171C, SER171D, SER189C, SER189D, THR164D, THR191C, THR191D, TYR234C, TYR234D, TYR235C, TYR235D, TYR288C, TYR288D, VAL144D, VAL174C, VAL174D, VAL183C, VAL183D
• D-E: ALA80D, ALA80E, ALA84D, ALA84E, ARG112D, ARG112E, ARG137D, ARG137E, ARG267D, ARG267E, ASN107D, ASN107E, ASN248D, ASN248E, ASN277D, ASN277E, ASN79D, ASN79E, CYS139D, CYS139E, CYS41E, GLN111D, GLN111E, GLU116D, GLU116E, GLU246D, GLU246E, GLU272D, GLU272E, GLU46D, GLU46E, GLU83D, GLU83E, GLY113D, GLY113E, GLY42D, GLY42E, GLY77D, GLY77E, GLY78D, GLY78E, HIS117D, HIS117E, HIS55E, HIS82D, HIS82E, ILE134D, ILE134E, ILE245D, ILE245E, ILE250D, ILE250E, LEU100D, LEU100E, LEU114D, LEU114E, LEU268D, LEU268E, LEU270D, LEU270E, LEU50D, LEU50E, LYS108D, LYS108E, LYS119D, LYS119E, LYS161D, LYS161E, MET273D, MET273E, PHE118D, PHE118E, PRO104D, PRO104E, PRO109D, PRO109E, PRO135D, PRO135E, PRO249D, PRO249E, PRO251D, PRO251E, PRO269D, PRO269E, PRO275D, PRO275E, PRO48D, PRO48E, SER136D, SER136E, SER163E, SER274D, SER274E, SER47D, SER47E, THR110D, THR110E, THR120D, THR120E, THR138D, THR138E, THR247D, THR247E, THR271D, THR271E, THR43D, THR43E, THR44D, THR44E, THR49D, THR49E, THR51D, THR51E, THR81D, THR81E, TYR105D, TYR105E, TYR106D, TYR106E, TYR115D, TYR115E, TYR132D, TYR132E, VAL101D, VAL102D, VAL102E, VAL103D, VAL103E, VAL121D, VAL121E, VAL140D, VAL140E, VAL85D, VAL85E