3AH3

crystal structure of lr5-1, 3-isopropylmalate dehydrogenase created by directed evolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 156
  • Norm. En. per Res.: -3.7774
• 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	-35.9826	36.0476	-119.383	-119.3179	66	3	3	5123	0	12	16
A-C	-156.8543	51.9864	-469.565	-574.4329	158	21	31	19286	0	39	34
A-D	-9.3046	-6.4029	-45.49	-61.1975	39	0	0	2193	0	16	14
B-C	0.0	-5.6187	-48.9155	-54.5342	44	4	0	2592	0	17	16
B-D	-171.6598	65.5845	-483.196	-589.2714	156	18	30	19121	2	41	32
C-D	0.0	0.0	-18.6914	-18.6914	33	0	0	1025	0	4	5

Interface residues

• A-B: ALA263A, ALA263B, ALA267A, ALA267B, ALA272A, ALA272B, ALA318A, ALA318B, ALA322A, ALA322B, ASN273A, ASN273B, ASP265A, ASP265B, ASP313A, ASP313B, ASP317A, ASP317B, GLU16A, GLU16B, GLY107A, GLY107B, GLY239A, GLY239B, GLY240A, GLY240B, GLY242A, GLY242B, GLY268A, GLY268B, GLY270A, GLY270B, GLY315A, GLY315B, GLY316A, GLY316B, ILE13A, ILE13B, ILE266A, ILE266B, ILE271A, ILE271B, LEU241A, LEU241B, LEU314A, LEU314B, LYS269A, LYS269B, MET310A, MET310B, PRO106A, PRO106B, PRO264A, PRO264B, PRO309A, PRO309B, PRO312A, PRO312B, SER262A, SER262B, THR311A, THR311B, THR319A, THR319B, THR320A, THR320B
• A-C: ALA136A, ALA136C, ALA138A, ALA138C, ALA140A, ALA140C, ALA146A, ALA146C, ALA169A, ALA172A, ALA172C, ALA207A, ALA207C, ALA234A, ALA234C, ALA235A, ALA235C, ARG109A, ARG109C, ARG118A, ARG118C, ARG130A, ARG130C, ARG131A, ARG131C, ARG213A, ARG213C, ARG88A, ARG98A, ARG98C, ASN173A, ASN173C, ASN205A, ASN205C, ASN224A, ASN224C, ASP134A, ASP134C, ASP139A, ASP139C, ASP184A, ASP184C, ASP204A, ASP204C, ASP228A, ASP228C, ASP232A, ASP232C, ASP313C, CYS206A, CYS206C, GLN128A, GLN128C, GLN179A, GLN179C, GLN209A, GLN209C, GLU127A, GLU127C, GLU129A, GLU129C, GLU148C, GLY107A, GLY107C, GLY180A, GLY180C, GLY227A, GLY227C, GLY236A, GLY236C, GLY239A, GLY239C, GLY240A, GLY240C, GLY242A, GLY242C, ILE137A, ILE137C, ILE142A, ILE142C, ILE202A, ILE202C, ILE229A, ILE229C, ILE72A, ILE72C, LEU124A, LEU124C, LEU133A, LEU133C, LEU175A, LEU175C, LEU177A, LEU177C, LEU181A, LEU181C, LEU210A, LEU210C, LEU225A, LEU225C, LEU226A, LEU226C, LEU230A, LEU230C, LEU233A, LEU233C, LEU237A, LEU237C, LEU241A, LEU241C, LYS144A, LYS144C, LYS145A, LYS145C, LYS171A, LYS171C, MET212A, MET212C, MET238A, MET238C, MET85A, MET85C, PHE182A, PHE182C, PRO106A, PRO176A, PRO176C, PRO214A, PRO214C, SER108A, SER143A, SER143C, SER147A, SER147C, SER231A, SER231C, THR178A, THR178C, THR185A, THR185C, THR208A, THR208C, THR74C, TYR125A, TYR125C, TYR132A, TYR132C, VAL135A, VAL135C, VAL141A, VAL141C, VAL174A, VAL174C, VAL203A, VAL203C, VAL211A, VAL211C, VAL77C
• A-D: ARG103A, ARG109A, ARG109D, ARG163D, ARG213A, ARG213D, ARG216D, ARG307A, ASN197D, GLN199D, GLN209D, GLU215A, GLU215D, GLU306A, GLU306D, GLY107A, GLY111A, GLY111D, GLY308A, GLY315A, HIS167D, LEU166D, LEU303A, LEU305A, LEU314A, MET212A, MET212D, MET310A, PRO104A, PRO106A, PRO110A, PRO110D, PRO214D, SER102A, SER108A, THR165D, VAL105A, VAL112D, VAL198D
• B-C: ARG103B, ARG109B, ARG109C, ARG163C, ARG213B, ARG213C, ARG216C, ARG307B, ASN197C, ASP200C, GLN199C, GLN209C, GLU215B, GLU215C, GLU306B, GLU306C, GLY107B, GLY111B, GLY111C, GLY308B, GLY315B, HIS167C, LEU303B, LEU305B, LEU314B, MET212B, MET212C, MET310B, PRO104B, PRO104C, PRO106B, PRO110B, PRO110C, PRO214B, PRO214C, SER102B, SER102C, SER108B, THR165C, THR208C, TYR217C, VAL105B, VAL112C, VAL198C
• B-D: ALA136B, ALA136D, ALA138B, ALA138D, ALA140B, ALA140D, ALA146B, ALA146D, ALA169B, ALA169D, ALA172B, ALA172D, ALA207B, ALA207D, ALA234B, ALA234D, ALA235B, ALA235D, ARG109B, ARG109D, ARG118B, ARG118D, ARG130B, ARG130D, ARG131B, ARG131D, ARG213B, ARG213D, ARG75B, ARG98B, ARG98D, ASN173B, ASN173D, ASN205B, ASN205D, ASN224B, ASN224D, ASP134B, ASP134D, ASP139B, ASP139D, ASP184B, ASP184D, ASP204B, ASP204D, ASP228B, ASP228D, ASP232B, ASP232D, CYS206B, CYS206D, GLN128B, GLN128D, GLN179B, GLN179D, GLN209B, GLN209D, GLU127B, GLU127D, GLU129B, GLU129D, GLU148B, GLY107B, GLY107D, GLY180B, GLY180D, GLY227B, GLY227D, GLY236B, GLY236D, GLY239B, GLY239D, GLY240B, GLY240D, GLY242B, GLY242D, ILE137B, ILE137D, ILE142B, ILE142D, ILE202B, ILE202D, ILE229B, ILE229D, ILE72B, ILE72D, LEU124B, LEU133B, LEU133D, LEU175B, LEU175D, LEU177B, LEU177D, LEU181B, LEU181D, LEU210B, LEU210D, LEU225B, LEU225D, LEU226B, LEU226D, LEU230B, LEU230D, LEU233B, LEU233D, LEU237B, LEU237D, LEU241B, LEU241D, LYS144B, LYS144D, LYS145B, LYS145D, LYS171B, LYS171D, LYS187D, MET212B, MET212D, MET238B, MET238D, MET85B, PHE182B, PHE182D, PRO176B, PRO176D, PRO214B, SER108B, SER108D, SER143B, SER143D, SER147B, SER147D, SER231B, SER231D, THR178B, THR178D, THR185B, THR185D, THR208B, THR208D, THR223B, TYR125B, TYR125D, TYR132B, TYR132D, VAL135B, VAL135D, VAL141B, VAL141D, VAL174B, VAL174D, VAL203B, VAL203D, VAL211B, VAL211D, VAL77D
• C-D: ALA318C, ALA318D, ARG307C, ARG307D, ASP317C, ASP317D, GLU306C, GLU306D, GLY107C, GLY107D, GLY308C, GLY308D, GLY315C, GLY315D, GLY316C, GLY316D, LEU305D, LEU314C, LEU314D, MET310C, MET310D, PRO104C, PRO104D, PRO106C, PRO106D, PRO110D, PRO309C, PRO309D, PRO312C, SER108C, SER108D, VAL105C, VAL105D