2A5H

2.1 angstrom x-ray crystal structure of lysine-2,3-aminomutase from clostridium subterminale sb4, with michaelis analog (l-alpha-lysine external aldimine form of pyridoxal-5'-phosphate).

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 366
  • Norm. En. per Res.: -3.8972
• 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	-147.6099	-10.1396	-1249.12	-1406.8695	367	56	26	49502	3	115	137
A-C	-62.9356	-37.241	-271.169	-371.3456	96	10	20	11677	4	14	17
A-D	-87.7913	-94.1668	-317.43	-499.3882	144	16	2	12432	9	55	53
B-C	-80.9494	-95.0518	-308.923	-484.9242	142	18	2	12722	8	52	53
B-D	-67.7646	-36.3452	-267.788	-371.8977	98	10	20	11701	4	14	17
C-D	-172.0958	-15.9255	-1238.34	-1426.3613	366	60	28	49072	2	115	138

Interface residues

• A-B: ALA249A, ALA249B, ALA251A, ALA251B, ALA331A, ALA331B, ALA392A, ALA392B, ALA90A, ALA90B, ALA91A, ALA91B, ALA92A, ALA92B, ARG112A, ARG112B, ARG116A, ARG116B, ARG164A, ARG164B, ARG189A, ARG189B, ARG198A, ARG198B, ARG263A, ARG263B, ARG283A, ARG283B, ARG285A, ARG285B, ARG302A, ARG302B, ARG316A, ARG316B, ARG356A, ARG356B, ASN228A, ASN228B, ASN257A, ASN257B, ASN266A, ASN266B, ASN277A, ASN277B, ASN343A, ASN343B, ASN357A, ASN357B, ASN370A, ASN370B, ASN376A, ASN376B, ASN396A, ASN396B, ASN73A, ASN73B, ASP103A, ASP103B, ASP115A, ASP115B, ASP165A, ASP165B, ASP250A, ASP250B, ASP267A, ASP267B, ASP293A, ASP293B, ASP330A, ASP330B, ASP351A, ASP351B, ASP378A, ASP378B, ASP71A, ASP71B, ASP74A, ASP74B, ASP93A, ASP93B, CYS268A, CYS268B, CYS292A, CYS292B, CYS323A, CYS323B, CYS375A, CYS375B, CYS377A, CYS377B, CYS380A, CYS380B, GLN162A, GLN162B, GLN246A, GLN246B, GLN291A, GLN291B, GLN348A, GLN348B, GLU195A, GLU195B, GLU274A, GLU274B, GLU299A, GLU299B, GLU310A, GLU310B, GLU313A, GLU313B, GLU359A, GLU359B, GLU367A, GLU367B, GLU398A, GLU398B, GLU403B, GLY252A, GLY252B, GLY256A, GLY256B, GLY264A, GLY264B, GLY308A, GLY308B, GLY314A, GLY314B, GLY317A, GLY317B, GLY321A, GLY321B, GLY333A, GLY333B, GLY334A, GLY334B, GLY335A, GLY335B, GLY336A, GLY336B, GLY360A, GLY360B, GLY374A, GLY374B, GLY390A, GLY390B, GLY393A, GLY393B, HIS193A, HIS193B, HIS223A, HIS223B, HIS233A, HIS233B, HIS270A, HIS270B, HIS300A, HIS300B, HIS318A, HIS318B, HIS350A, HIS350B, HIS387A, HIS387B, ILE196A, ILE196B, ILE282A, ILE282B, ILE309A, ILE309B, ILE311A, ILE311B, ILE312A, ILE312B, ILE346A, ILE346B, ILE354A, ILE354B, ILE362A, ILE362B, ILE369A, ILE369B, LEU167A, LEU167B, LEU247A, LEU247B, LEU248A, LEU248B, LEU255A, LEU255B, LEU261A, LEU261B, LEU262A, LEU262B, LEU279A, LEU279B, LEU294A, LEU294B, LEU298A, LEU298B, LEU315A, LEU315B, LEU355A, LEU355B, LEU394A, LEU394B, LEU395A, LEU395B, LEU402A, LEU402B, LEU94A, LEU94B, LEU98A, LEU98B, LYS220A, LYS220B, LYS273A, LYS273B, LYS278A, LYS278B, LYS281A, LYS281B, LYS307A, LYS307B, LYS337A, LYS337B, LYS352A, LYS352B, LYS384A, LYS384B, LYS385A, LYS385B, LYS388A, LYS388B, LYS78A, LYS78B, PHE301A, PHE301B, PHE327A, PHE327B, PHE358A, PHE358B, PRO114A, PRO114B, PRO192A, PRO192B, PRO224A, PRO224B, PRO234A, PRO234B, PRO254A, PRO254B, PRO286A, PRO286B, PRO304A, PRO304B, PRO325A, PRO325B, PRO332A, PRO332B, PRO339A, PRO339B, PRO342A, PRO342B, PRO368A, PRO368B, PRO373A, PRO373B, PRO404A, PRO404B, PRO72A, PRO72B, PRO75A, PRO75B, PRO97A, PRO97B, SER295A, SER295B, SER306A, SER306B, SER320A, SER320B, SER366A, SER366B, THR303A, THR303B, THR319A, THR319B, THR326A, THR326B, THR338A, THR338B, THR363A, THR363B, THR364A, THR364B, THR372A, THR372B, THR381A, THR381B, TRP226A, TRP226B, TYR113A, TYR113B, TYR222B, TYR287A, TYR287B, TYR288A, TYR288B, TYR290A, TYR322A, TYR322B, TYR344A, TYR344B, TYR365A, TYR365B, TYR371A, TYR371B, VAL117A, VAL117B, VAL166A, VAL166B, VAL194A, VAL194B, VAL197A, VAL197B, VAL225A, VAL225B, VAL253A, VAL253B, VAL265A, VAL265B, VAL269A, VAL269B, VAL271A, VAL271B, VAL276A, VAL276B, VAL280A, VAL280B, VAL284A, VAL284B, VAL305A, VAL305B, VAL324A, VAL324B, VAL328A, VAL328B, VAL329A, VAL329B, VAL340A, VAL340B, VAL345A, VAL345B, VAL353A, VAL353B, VAL361A, VAL361B, VAL379A, VAL379B, VAL386A, VAL386B, VAL389A, VAL389B, VAL391A, VAL391B, VAL405A, VAL405B
• A-C: ALA392A, ALA392C, ALA401A, ALA401C, ARG356A, ARG356C, ARG409A, ARG409C, ASN343A, ASN343C, ASN357A, ASN357C, ASN370A, ASN370C, ASN396A, ASN396C, ASN410A, ASN410C, ASP351A, ASP351C, GLN348A, GLN348C, GLU359A, GLU359C, GLU367A, GLU367C, GLU398A, GLU398C, GLU403A, GLU403C, GLU408A, GLU408C, GLY360A, GLY360C, GLY390A, GLY390C, GLY393A, GLY393C, GLY397A, GLY397C, GLY399A, GLY399C, HIS350A, HIS350C, ILE346A, ILE346C, ILE354A, ILE354C, ILE362A, ILE362C, ILE369A, ILE369C, LEU355A, LEU355C, LEU394A, LEU394C, LEU395A, LEU395C, LEU402A, LEU402C, LEU407A, LEU407C, LYS352A, LYS352C, PHE358A, PHE358C, PRO373A, PRO373C, PRO404A, PRO404C, SER306A, SER306C, SER347A, SER347C, SER349A, SER349C, SER366A, SER366C, THR363A, THR363C, THR364A, THR364C, THR372A, THR372C, TYR365A, TYR365C, TYR371A, TYR371C, VAL345A, VAL345C, VAL353A, VAL353C, VAL361A, VAL361C, VAL391A, VAL391C
• A-D: ALA331A, ALA331D, ALA401A, ALA401D, ARG112A, ARG112D, ARG263A, ARG263D, ARG356A, ARG356D, ARG409A, ARG409D, ARG412D, ASN343A, ASN343D, ASN357A, ASN357D, ASN370A, ASN370D, ASN410A, ASN410D, ASP101A, ASP103A, ASP103D, ASP267A, ASP267D, ASP351A, ASP351D, GLN348A, GLN348D, GLU310A, GLU310D, GLU313A, GLU313D, GLU359A, GLU359D, GLU367A, GLU367D, GLU398A, GLU398D, GLU403A, GLU403D, GLU408A, GLU408D, GLY308A, GLY308D, GLY314A, GLY314D, GLY333A, GLY333D, GLY334A, GLY334D, GLY335A, GLY335D, GLY336A, GLY336D, GLY360A, GLY360D, GLY390A, GLY390D, GLY406A, GLY406D, HIS111A, HIS111D, HIS350A, HIS350D, HIS387A, HIS387D, HIS99A, HIS99D, ILE309A, ILE309D, ILE311A, ILE311D, ILE312A, ILE312D, ILE346A, ILE346D, ILE354A, ILE354D, ILE362A, ILE362D, LEU402A, LEU402D, LEU407A, LEU407D, LEU98A, LEU98D, LYS307A, LYS307D, LYS352A, LYS352D, LYS388A, LYS388D, LYS411A, LYS411D, PHE358A, PHE358D, PRO105A, PRO105D, PRO114A, PRO114D, PRO304A, PRO304D, PRO332A, PRO332D, PRO342A, PRO342D, PRO404A, PRO404D, SER104A, SER104D, SER306A, SER306D, SER347A, SER347D, SER349A, SER349D, THR102A, THR102D, THR110A, THR110D, THR303A, THR303D, TYR113A, TYR113D, TYR344A, TYR344D, VAL305A, VAL305D, VAL340A, VAL340D, VAL345A, VAL345D, VAL353A, VAL353D, VAL361A, VAL361D, VAL389A, VAL389D, VAL391A, VAL391D, VAL405A, VAL405D
• B-C: ALA331B, ALA331C, ALA401B, ALA401C, ARG112B, ARG112C, ARG263B, ARG263C, ARG356B, ARG356C, ARG409B, ARG409C, ARG412B, ASN343B, ASN343C, ASN357B, ASN357C, ASN370B, ASN370C, ASN410B, ASN410C, ASP101C, ASP103B, ASP103C, ASP267B, ASP267C, ASP351B, ASP351C, GLN348B, GLN348C, GLU310B, GLU310C, GLU313B, GLU313C, GLU359B, GLU359C, GLU367B, GLU367C, GLU398B, GLU403B, GLU403C, GLU408B, GLU408C, GLY308B, GLY308C, GLY314B, GLY314C, GLY333B, GLY333C, GLY334B, GLY334C, GLY335B, GLY335C, GLY336B, GLY336C, GLY360B, GLY360C, GLY390B, GLY390C, GLY406B, GLY406C, HIS111B, HIS111C, HIS350B, HIS350C, HIS387B, HIS387C, HIS99B, HIS99C, ILE309B, ILE309C, ILE311B, ILE311C, ILE312B, ILE312C, ILE346B, ILE346C, ILE354B, ILE354C, ILE362B, ILE362C, LEU402B, LEU402C, LEU407B, LEU407C, LEU98B, LEU98C, LYS307B, LYS307C, LYS352B, LYS352C, LYS388B, LYS388C, LYS411B, LYS411C, PHE358B, PHE358C, PRO105C, PRO114B, PRO114C, PRO304B, PRO304C, PRO332B, PRO332C, PRO342B, PRO342C, PRO404B, PRO404C, SER104C, SER306B, SER306C, SER347B, SER347C, SER349B, SER349C, THR102B, THR102C, THR110B, THR110C, THR303B, THR303C, TYR113B, TYR113C, TYR156C, TYR344B, TYR344C, VAL305B, VAL305C, VAL340B, VAL340C, VAL345B, VAL345C, VAL353B, VAL353C, VAL361B, VAL361C, VAL389B, VAL389C, VAL391B, VAL391C, VAL405B, VAL405C
• B-D: ALA392B, ALA392D, ALA401B, ALA401D, ARG356B, ARG356D, ARG409B, ARG409D, ASN343B, ASN343D, ASN357B, ASN357D, ASN370B, ASN370D, ASN396B, ASN396D, ASN410B, ASN410D, ASP351B, ASP351D, GLN348B, GLN348D, GLU359B, GLU359D, GLU367B, GLU367D, GLU398B, GLU398D, GLU403B, GLU403D, GLU408B, GLU408D, GLY360B, GLY360D, GLY390B, GLY390D, GLY393B, GLY393D, GLY397B, GLY397D, GLY399B, GLY399D, HIS350B, HIS350D, ILE346B, ILE346D, ILE354B, ILE354D, ILE362B, ILE362D, ILE369B, ILE369D, LEU355B, LEU355D, LEU394B, LEU394D, LEU395B, LEU395D, LEU402B, LEU402D, LEU407B, LEU407D, LYS352B, LYS352D, PHE358B, PHE358D, PRO368B, PRO368D, PRO373B, PRO373D, PRO404B, PRO404D, SER306B, SER306D, SER347B, SER347D, SER349B, SER349D, SER366B, SER366D, THR363B, THR363D, THR364B, THR364D, THR372B, THR372D, TYR365B, TYR365D, TYR371B, TYR371D, VAL345B, VAL345D, VAL353B, VAL353D, VAL361B, VAL361D, VAL391B, VAL391D
• C-D: ALA249C, ALA249D, ALA251C, ALA251D, ALA331C, ALA331D, ALA392C, ALA392D, ALA90C, ALA90D, ALA91C, ALA91D, ALA92C, ALA92D, ARG112C, ARG112D, ARG116C, ARG116D, ARG164C, ARG164D, ARG189C, ARG189D, ARG198C, ARG198D, ARG243C, ARG263C, ARG263D, ARG283C, ARG283D, ARG285C, ARG285D, ARG302C, ARG302D, ARG316C, ARG316D, ARG356C, ARG356D, ASN228C, ASN228D, ASN257D, ASN266C, ASN266D, ASN277C, ASN277D, ASN343C, ASN343D, ASN357C, ASN357D, ASN370C, ASN370D, ASN376C, ASN376D, ASN396C, ASN396D, ASN73C, ASN73D, ASP103C, ASP103D, ASP115C, ASP115D, ASP165C, ASP165D, ASP250C, ASP250D, ASP267C, ASP267D, ASP293C, ASP293D, ASP330C, ASP330D, ASP351C, ASP351D, ASP378C, ASP378D, ASP71C, ASP71D, ASP74C, ASP74D, ASP93C, ASP93D, CYS268C, CYS268D, CYS292C, CYS292D, CYS323C, CYS323D, CYS375C, CYS375D, CYS377C, CYS377D, CYS380C, CYS380D, GLN162C, GLN162D, GLN246C, GLN246D, GLN291C, GLN291D, GLN348C, GLN348D, GLU195C, GLU195D, GLU274C, GLU274D, GLU299C, GLU299D, GLU310C, GLU310D, GLU313C, GLU313D, GLU359C, GLU359D, GLU367C, GLU367D, GLU398C, GLU398D, GLU403C, GLU403D, GLY252C, GLY252D, GLY256C, GLY256D, GLY264C, GLY264D, GLY314C, GLY314D, GLY317C, GLY317D, GLY321C, GLY321D, GLY333C, GLY333D, GLY334C, GLY334D, GLY335C, GLY335D, GLY336C, GLY336D, GLY360C, GLY360D, GLY374C, GLY374D, GLY390C, GLY390D, GLY393C, GLY393D, HIS193C, HIS193D, HIS223C, HIS223D, HIS233C, HIS233D, HIS270C, HIS270D, HIS300C, HIS300D, HIS318C, HIS318D, HIS350C, HIS350D, HIS387C, HIS387D, ILE196C, ILE196D, ILE282C, ILE282D, ILE309C, ILE309D, ILE311C, ILE311D, ILE312C, ILE312D, ILE346C, ILE346D, ILE354C, ILE354D, ILE362C, ILE362D, ILE369C, ILE369D, LEU167C, LEU167D, LEU247C, LEU247D, LEU248C, LEU248D, LEU255C, LEU255D, LEU261C, LEU261D, LEU262C, LEU262D, LEU279C, LEU279D, LEU294C, LEU294D, LEU298C, LEU298D, LEU315C, LEU315D, LEU355C, LEU355D, LEU394C, LEU394D, LEU395C, LEU395D, LEU402C, LEU402D, LEU94C, LEU94D, LEU98C, LEU98D, LYS220C, LYS220D, LYS273C, LYS273D, LYS278C, LYS278D, LYS281C, LYS281D, LYS307C, LYS307D, LYS337C, LYS337D, LYS352C, LYS352D, LYS384C, LYS384D, LYS385C, LYS385D, LYS388C, LYS388D, LYS78C, LYS78D, PHE301C, PHE301D, PHE327C, PHE327D, PHE358C, PHE358D, PRO114C, PRO114D, PRO192C, PRO192D, PRO224C, PRO224D, PRO234C, PRO234D, PRO254C, PRO254D, PRO286C, PRO286D, PRO304C, PRO304D, PRO325C, PRO325D, PRO332C, PRO332D, PRO339C, PRO339D, PRO342C, PRO342D, PRO368C, PRO368D, PRO373C, PRO373D, PRO404C, PRO404D, PRO72C, PRO72D, PRO75C, PRO75D, PRO97C, PRO97D, SER295C, SER295D, SER306C, SER306D, SER320C, SER320D, SER366C, SER366D, THR303C, THR303D, THR319C, THR319D, THR326C, THR326D, THR338C, THR338D, THR363C, THR363D, THR364C, THR364D, THR372C, THR372D, THR381C, THR381D, TRP226C, TRP226D, TYR113C, TYR113D, TYR222C, TYR287C, TYR287D, TYR288C, TYR288D, TYR290C, TYR290D, TYR322C, TYR322D, TYR344C, TYR344D, TYR365C, TYR365D, TYR371C, TYR371D, VAL117D, VAL166C, VAL166D, VAL194C, VAL194D, VAL197C, VAL197D, VAL225C, VAL225D, VAL253C, VAL253D, VAL265C, VAL265D, VAL269C, VAL269D, VAL271C, VAL271D, VAL276C, VAL276D, VAL280C, VAL280D, VAL284C, VAL284D, VAL305C, VAL305D, VAL324C, VAL324D, VAL328C, VAL328D, VAL329C, VAL329D, VAL340C, VAL340D, VAL345C, VAL345D, VAL353C, VAL353D, VAL361C, VAL361D, VAL379C, VAL379D, VAL386C, VAL386D, VAL389C, VAL389D, VAL391C, VAL391D, VAL405C, VAL405D