3KB6

crystal structure of d-lactate dehydrogenase from aquifex aeolicus complexed with nad and lactic acid

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 196
  • Norm. En. per Res.: -4.0285
• 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	-137.4719	0.9394	-653.055	-789.5876	196	22	30	27187	11	78	88
A-C	0.0	-0.3046	-57.3032	-57.6078	42	2	2	2632	0	22	22
A-D	0.0	-20.8445	-177.127	-197.9715	59	1	6	7093	2	34	35
B-C	0.0	-19.1239	-172.944	-192.0679	60	2	6	7164	1	34	35
B-D	0.0	0.675	-41.9202	-41.2452	39	0	2	2097	0	20	22
C-D	-136.9692	19.0777	-630.978	-748.8695	191	26	30	26747	6	76	83

Interface residues

• A-B: ALA102A, ALA102B, ALA107A, ALA107B, ALA136A, ALA136B, ALA162A, ALA162B, ALA284A, ALA284B, ALA296A, ALA296B, ARG115A, ARG115B, ARG118B, ARG122A, ARG122B, ARG137A, ARG137B, ARG141A, ARG141B, ARG155A, ARG155B, ARG305A, ARG305B, ASN127A, ASN127B, ASN140A, ASN140B, ASN277A, ASN277B, ASP121A, ASP121B, ASP131A, ASP131B, ASP255A, ASP255B, ASP287A, ASP287B, ASP300A, ASP300B, CYS285A, CYS285B, GLN130A, GLN130B, GLU103A, GLU103B, GLU11A, GLU11B, GLU120A, GLU120B, GLU133A, GLU133B, GLU138A, GLU138B, GLU260A, GLU260B, GLU261A, GLU261B, GLU282A, GLU304A, GLU304B, GLU308A, GLU308B, GLU99A, GLU99B, GLY160A, GLY160B, GLY164A, GLY164B, HIS104A, HIS104B, HIS294A, HIS294B, ILE109A, ILE109B, ILE119A, ILE119B, ILE134A, ILE134B, ILE262A, ILE262B, ILE264A, ILE264B, ILE280A, ILE280B, ILE290A, ILE290B, ILE291A, ILE291B, ILE295A, ILE295B, LEU110A, LEU110B, LEU112A, LEU112B, LEU116A, LEU116B, LEU126A, LEU126B, LEU135A, LEU135B, LEU139A, LEU139B, LEU142A, LEU142B, LEU161A, LEU161B, LEU254A, LEU254B, LEU263A, LEU263B, LEU265A, LEU265B, LEU278A, LEU278B, LEU281A, LEU281B, LEU283B, LEU303A, LEU303B, LYS114A, LYS114B, LYS117A, LYS117B, LYS124A, LYS124B, LYS125A, LYS125B, LYS181A, LYS181B, LYS266A, LYS266B, LYS286A, LYS286B, LYS301A, LYS301B, PHE106A, PHE106B, PHE128A, PHE128B, PHE163A, PHE163B, PHE257A, PHE257B, PHE49A, PHE49B, PRO293A, PRO293B, PRO98A, PRO98B, PRO9A, PRO9B, SER100A, SER100B, SER129A, SER129B, SER132A, SER132B, SER302A, SER302B, SER97A, SER97B, THR105A, THR105B, THR111A, THR111B, THR292A, THR292B, THR299A, THR299B, TYR159A, TYR159B, TYR268A, TYR268B, TYR297A, TYR297B, TYR298A, TYR298B, TYR51A, TYR51B, TYR96A, TYR96B, VAL101A, VAL101B, VAL113A, VAL113B, VAL123A, VAL123B, VAL156A, VAL156B, VAL256B, VAL289A, VAL289B, VAL50A, VAL50B
• A-C: ALA284A, ALA284C, ARG122A, ARG122C, ASN127A, ASN127C, ASN277A, ASN277C, ASP121A, ASP121C, ASP287A, ASP287C, CYS285A, CYS285C, GLU282A, GLU282C, ILE280A, ILE280C, LEU126A, LEU126C, LEU278A, LEU278C, LEU281A, LEU281C, LEU283A, LEU283C, LYS117A, LYS117C, LYS124A, LYS124C, LYS125A, LYS125C, LYS279A, LYS279C, LYS286A, LYS286C, PHE128A, PHE128C, TYR241A, TYR241C, VAL123A, VAL123C
• A-D: ALA273A, ALA273D, ARG242A, ARG242D, ASN277A, ASN277D, ASP238A, ASP238D, ASP259A, ASP259D, ASP275A, ASP275D, CYS285A, GLN245A, GLN245D, GLU270A, GLU270D, GLU282A, GLU282D, GLY271A, GLY271D, ILE262A, ILE262D, ILE280A, ILE280D, LEU126A, LEU126D, LEU263A, LEU263D, LEU278A, LEU278D, LEU281A, LEU281D, LEU283A, LEU283D, LYS124A, LYS124D, LYS125A, LYS125D, LYS266A, LYS266D, LYS267A, LYS267D, LYS272A, LYS272D, LYS276A, LYS276D, LYS279A, LYS279D, LYS286A, LYS286D, THR269A, THR269D, THR274A, THR274D, TYR241A, TYR241D, TYR268A, TYR268D
• B-C: ALA273B, ALA273C, ARG242B, ARG242C, ASN277B, ASN277C, ASP238B, ASP238C, ASP259B, ASP259C, ASP275B, ASP275C, CYS285B, CYS285C, GLN245B, GLN245C, GLU270B, GLU270C, GLU282B, GLU282C, GLY271B, GLY271C, ILE262B, ILE262C, ILE280B, ILE280C, LEU126B, LEU126C, LEU263B, LEU263C, LEU278B, LEU278C, LEU281B, LEU281C, LEU283B, LEU283C, LYS124B, LYS124C, LYS125B, LYS125C, LYS266B, LYS266C, LYS267B, LYS267C, LYS272B, LYS272C, LYS276B, LYS276C, LYS279B, LYS279C, LYS286B, LYS286C, THR269B, THR269C, THR274B, THR274C, TYR241B, TYR241C, TYR268B, TYR268C
• B-D: ALA284B, ALA284D, ARG122B, ARG122D, ASN127B, ASN127D, ASN277B, ASN277D, ASP121B, ASP121D, ASP287B, ASP287D, CYS285B, CYS285D, GLU282B, GLU282D, ILE280B, ILE280D, LEU126B, LEU126D, LEU278B, LEU278D, LEU281B, LEU281D, LEU283B, LEU283D, LYS124B, LYS124D, LYS125B, LYS125D, LYS279B, LYS279D, LYS286B, LYS286D, PHE128B, PHE128D, TYR241D, VAL123B, VAL123D
• C-D: ALA102C, ALA102D, ALA107C, ALA107D, ALA136C, ALA136D, ALA162C, ALA162D, ALA284C, ALA284D, ALA296C, ALA296D, ARG115C, ARG115D, ARG122C, ARG122D, ARG137C, ARG137D, ARG141C, ARG141D, ARG155C, ARG155D, ARG305C, ARG305D, ARG307D, ASN127C, ASN127D, ASN140C, ASN140D, ASN277C, ASN277D, ASP121C, ASP121D, ASP131C, ASP131D, ASP255C, ASP255D, ASP287C, ASP287D, ASP300C, ASP300D, CYS285C, CYS285D, GLN130C, GLN130D, GLU103C, GLU103D, GLU11C, GLU11D, GLU120C, GLU120D, GLU133C, GLU133D, GLU138C, GLU138D, GLU260C, GLU260D, GLU261C, GLU261D, GLU304C, GLU304D, GLU308C, GLU99C, GLU99D, GLY160C, GLY160D, GLY164C, GLY164D, HIS104C, HIS104D, HIS294C, HIS294D, ILE109C, ILE109D, ILE119C, ILE119D, ILE134C, ILE134D, ILE262C, ILE262D, ILE264C, ILE264D, ILE280C, ILE280D, ILE290C, ILE290D, ILE291C, ILE291D, ILE295C, ILE295D, LEU110C, LEU110D, LEU112C, LEU112D, LEU116C, LEU116D, LEU126C, LEU126D, LEU135C, LEU135D, LEU139C, LEU139D, LEU142C, LEU142D, LEU161C, LEU161D, LEU254C, LEU254D, LEU263C, LEU263D, LEU265C, LEU265D, LEU278C, LEU278D, LEU281C, LEU281D, LEU303C, LEU303D, LYS114C, LYS114D, LYS117C, LYS117D, LYS124C, LYS124D, LYS125C, LYS125D, LYS266C, LYS266D, LYS286C, LYS286D, LYS301C, LYS301D, PHE106C, PHE106D, PHE128C, PHE128D, PHE163C, PHE163D, PHE257C, PHE257D, PHE49C, PHE49D, PRO293C, PRO293D, PRO98C, PRO98D, PRO9C, PRO9D, SER100C, SER100D, SER129C, SER129D, SER132C, SER132D, SER302C, SER302D, SER97C, SER97D, THR105C, THR105D, THR111C, THR111D, THR292C, THR292D, THR299C, THR299D, TYR159C, TYR159D, TYR268C, TYR268D, TYR297C, TYR297D, TYR298C, TYR298D, TYR51C, TYR51D, TYR96C, TYR96D, VAL101C, VAL101D, VAL113C, VAL113D, VAL123C, VAL123D, VAL156C, VAL156D, VAL256D, VAL289C, VAL289D, VAL50C, VAL50D