3GLM

glutaconyl-coa decarboxylase a subunit from clostridium symbiosum co-crystallized with crotonyl-coa

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 172
  • Norm. En. per Res.: -4.6113
• 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	-73.4467	-69.7683	-424.59	-567.805	133	26	2	15898	4	38	51
A-C	-173.3285	-83.0259	-1345.56	-1601.9145	398	47	41	49283	2	87	69
A-D	-127.9338	-0.9188	-644.769	-773.6216	173	23	8	22731	0	24	17
B-C	-148.434	-0.8897	-643.821	-793.1446	172	26	8	22779	0	24	17
B-D	-172.8834	-83.4732	-1368.15	-1624.5066	409	44	44	50743	2	90	67
C-D	-65.9531	-69.3006	-420.881	-556.1347	134	24	2	15852	4	38	50

Interface residues

• A-B: ALA405A, ALA405B, ALA429A, ALA429B, ARG391A, ARG391B, ARG406A, ARG406B, ARG408A, ARG408B, ARG578A, ARG578B, ARG581A, ARG581B, ASN398A, ASN398B, ASN444A, ASN444B, ASP407A, ASP407B, CYS404A, CYS404B, CYS569A, CYS569B, GLN392A, GLN392B, GLN436A, GLN436B, GLN573A, GLN573B, GLU377A, GLU377B, GLU399A, GLU399B, GLU430A, GLU430B, GLU443A, GLU443B, GLU582A, GLU582B, GLY345A, GLY345B, GLY347A, GLY347B, GLY433A, GLY433B, GLY435A, GLY435B, HIS572A, HIS572B, ILE395A, ILE395B, ILE439A, ILE439B, ILE442A, ILE442B, ILE568A, ILE568B, LEU394A, LEU394B, LEU403A, LEU403B, LEU431A, LEU431B, LEU432A, LEU432B, LEU434A, LEU434B, LEU438A, LEU438B, LEU447B, LEU575A, LEU575B, LYS343A, LYS343B, LYS344A, LYS344B, LYS396A, LYS396B, LYS428A, LYS428B, LYS446A, LYS446B, MET397A, MET397B, MET571A, MET571B, MET574A, MET574B, MET6A, MET6B, PHE400A, PHE400B, PHE583A, PHE583B, PHE586A, PHE586B, PRO348A, PRO348B, PRO570A, PRO570B, PRO577A, PRO577B, SER437A, SER437B, SER441A, SER441B, SER445A, SER445B, SER567A, SER567B, SER579A, SER579B, THR402A, THR402B, THR576A, THR576B, THR580A, THR580B, THR585A, THR585B, TYR342A, TYR342B, TYR346A, TYR346B, TYR375A, TYR375B, TYR440A, TYR440B, TYR9A, TYR9B, VAL401A, VAL401B
• A-C: ALA119A, ALA119C, ALA127A, ALA127C, ALA136A, ALA136C, ALA195A, ALA195C, ALA216A, ALA216C, ALA220A, ALA220C, ALA237A, ALA237C, ALA242C, ALA243A, ALA243C, ALA254A, ALA254C, ALA426A, ALA426C, ALA429A, ALA429C, ALA457A, ALA457C, ALA459A, ALA459C, ALA460A, ALA460C, ALA461A, ALA461C, ALA493A, ALA493C, ALA494A, ALA494C, ALA496A, ALA496C, ALA505A, ARG132A, ARG132C, ARG165A, ARG165C, ARG166A, ARG166C, ARG174A, ARG174C, ARG391A, ARG391C, ARG500A, ARG500C, ASN129A, ASN129C, ASN157A, ASN157C, ASN164A, ASN164C, ASN175A, ASN175C, ASN179A, ASN179C, ASN193A, ASN193C, ASN214A, ASN214C, ASN247C, ASN444A, ASN444C, ASN471A, ASN471C, ASN472A, ASN472C, ASN474A, ASN474C, ASN495A, ASN495C, ASN520A, ASN520C, ASN81A, ASN81C, ASP135A, ASP135C, ASP159A, ASP159C, ASP263A, ASP263C, ASP421A, ASP421C, ASP424A, ASP424C, ASP521A, ASP521C, ASP528A, ASP528C, ASP542A, ASP542C, CYS535A, CYS535C, GLN158A, GLN158C, GLN180A, GLN180C, GLN239A, GLN239C, GLN244A, GLN244C, GLN415A, GLN415C, GLN436A, GLN436C, GLN469A, GLN469C, GLN513A, GLU128A, GLU128C, GLU154A, GLU154C, GLU177A, GLU177C, GLU238A, GLU238C, GLU246C, GLU264A, GLU264C, GLU425A, GLU425C, GLU427A, GLU427C, GLU430A, GLU430C, GLU443A, GLU443C, GLU451A, GLU451C, GLU484A, GLU484C, GLU537A, GLU537C, GLU87A, GLU87C, GLY152A, GLY152C, GLY167A, GLY167C, GLY168A, GLY168C, GLY169A, GLY169C, GLY182A, GLY182C, GLY196A, GLY196C, GLY197A, GLY197C, GLY198A, GLY198C, GLY218A, GLY218C, GLY219A, GLY219C, GLY221A, GLY221C, GLY256A, GLY256C, GLY266A, GLY266C, GLY419A, GLY419C, GLY423A, GLY423C, GLY433A, GLY433C, GLY435A, GLY435C, GLY466A, GLY466C, GLY467A, GLY467C, GLY470A, GLY470C, GLY490A, GLY490C, GLY539A, GLY539C, HIS200A, HIS200C, HIS261A, HIS261C, HIS462A, HIS462C, ILE131A, ILE131C, ILE189A, ILE189C, ILE202A, ILE202C, ILE240A, ILE240C, ILE241A, ILE241C, ILE245C, ILE260A, ILE260C, ILE420A, ILE420C, ILE439A, ILE439C, ILE442A, ILE442C, ILE516A, ILE516C, LEU178A, LEU178C, LEU181A, LEU181C, LEU207A, LEU207C, LEU389A, LEU389C, LEU394A, LEU394C, LEU431A, LEU431C, LEU432A, LEU432C, LEU434A, LEU434C, LEU438A, LEU438C, LEU465A, LEU465C, LEU502A, LYS138A, LYS138C, LYS160A, LYS160C, LYS388A, LYS388C, LYS428A, LYS428C, LYS446A, LYS446C, LYS456A, LYS501A, LYS501C, LYS504A, LYS518A, LYS518C, LYS529A, LYS529C, LYS538A, LYS538C, LYS90A, LYS90C, MET118A, MET118C, MET139A, MET139C, MET215A, MET215C, MET488A, MET488C, MET497A, MET497C, MET519A, MET519C, MET522A, MET522C, MET525A, MET525C, MET540A, MET540C, PHE155A, PHE155C, PHE172A, PHE172C, PHE173A, PHE173C, PHE267A, PHE267C, PHE268A, PHE268C, PHE476A, PHE476C, PHE84A, PHE84C, PRO156A, PRO156C, PRO163A, PRO163C, PRO171A, PRO171C, PRO194A, PRO194C, PRO204A, PRO204C, PRO253A, PRO253C, PRO255A, PRO255C, PRO259A, PRO259C, PRO468A, PRO468C, PRO489A, PRO489C, PRO86A, PRO86C, SER151A, SER151C, SER176A, SER176C, SER201A, SER201C, SER203A, SER203C, SER248A, SER248C, SER257A, SER257C, SER437A, SER437C, SER441A, SER441C, SER445A, SER445C, SER449A, SER449C, SER458A, SER458C, SER477A, SER477C, SER499A, SER499C, SER530A, SER530C, THR170A, THR170C, THR192A, THR192C, THR205A, THR205C, THR265A, THR265C, THR417A, THR417C, THR418A, THR473A, THR473C, THR492A, THR492C, THR527A, THR527C, THR536A, THR536C, TRP122A, TRP122C, TRP413A, TRP413C, TYR162A, TYR162C, TYR199A, TYR199C, TYR378A, TYR440A, TYR440C, TYR463A, TYR463C, TYR485A, TYR485C, TYR486A, TYR486C, TYR498A, TYR498C, TYR526A, TYR526C, TYR534A, TYR534C, VAL153A, VAL153C, VAL161A, VAL161C, VAL217A, VAL217C, VAL252A, VAL252C, VAL401A, VAL401C, VAL422A, VAL422C, VAL464A, VAL464C, VAL475A, VAL475C, VAL487A, VAL487C, VAL503A, VAL541A, VAL541C
• A-D: ALA291A, ALA291D, ALA405A, ALA405D, ARG269A, ARG269D, ARG298A, ARG298D, ARG406A, ARG406D, ARG408A, ARG408D, ARG578A, ARG578D, ARG581A, ARG581D, ASN175A, ASN175D, ASN179A, ASN179D, ASN293A, ASN293D, ASN564A, ASN564D, ASP263A, ASP263D, ASP300A, ASP300D, CYS569A, CYS569D, GLN180A, GLN180D, GLN563A, GLN563D, GLN566A, GLN566D, GLN573A, GLN573D, GLU177A, GLU177D, GLU264A, GLU264D, GLU270A, GLU270D, GLU295A, GLU295D, GLY182A, GLY182D, GLY266A, GLY266D, GLY359A, GLY359D, GLY8A, GLY8D, HIS141A, HIS141D, HIS261A, HIS261D, HIS572A, HIS572D, ILE145A, ILE145D, ILE183A, ILE183D, ILE186A, ILE186D, ILE189A, ILE189D, ILE202A, ILE202D, ILE206A, ILE206D, ILE208A, ILE208D, ILE282D, ILE286A, ILE286D, ILE568A, ILE568D, LEU178A, LEU178D, LEU181A, LEU181D, LEU207A, LEU207D, LEU289A, LEU289D, LEU294A, LEU294D, LEU360A, LEU360D, LYS106A, LYS106D, LYS284A, LYS284D, MET215A, MET215D, MET3A, MET3D, MET571A, MET571D, MET574A, MET574D, MET6A, MET6D, PHE10A, PHE10D, PHE172A, PHE172D, PHE267A, PHE267D, PHE268A, PHE268D, PHE296A, PHE296D, PHE297A, PHE297D, PRO143A, PRO143D, PRO184A, PRO184D, PRO204A, PRO204D, PRO290A, PRO290D, PRO565A, PRO565D, PRO570A, PRO570D, PRO7A, PRO7D, SER176A, SER176D, SER201A, SER201D, SER203A, SER203D, SER287A, SER287D, SER567A, SER567D, SER5A, SER5D, THR205A, THR205D, THR265A, THR265D, TYR199A, TYR199D, TYR262A, TYR262D, TYR272A, TYR272D, TYR285A, TYR285D, TYR288A, TYR288D, TYR292A, TYR292D, TYR4A, TYR4D, TYR562A, TYR562D, TYR9A, TYR9D, VAL185A, VAL185D, VAL187A, VAL187D, VAL271A, VAL271D, VAL299A, VAL299D
• B-C: ALA291B, ALA291C, ALA405B, ALA405C, ARG269B, ARG269C, ARG298B, ARG298C, ARG406B, ARG406C, ARG408B, ARG408C, ARG578B, ARG578C, ARG581B, ARG581C, ASN175B, ASN175C, ASN179B, ASN179C, ASN293B, ASN293C, ASN564B, ASN564C, ASP263B, ASP263C, ASP300B, ASP300C, CYS569B, CYS569C, GLN180B, GLN180C, GLN563B, GLN563C, GLN566B, GLN566C, GLN573B, GLN573C, GLU177B, GLU177C, GLU264B, GLU264C, GLU270B, GLU270C, GLU295B, GLU295C, GLY182B, GLY182C, GLY266B, GLY266C, GLY359C, GLY8B, GLY8C, HIS141B, HIS141C, HIS261B, HIS261C, HIS572B, HIS572C, ILE145B, ILE145C, ILE183B, ILE183C, ILE186B, ILE186C, ILE189B, ILE189C, ILE202B, ILE202C, ILE206B, ILE206C, ILE208B, ILE208C, ILE282B, ILE286B, ILE286C, ILE568B, ILE568C, LEU178B, LEU178C, LEU181B, LEU181C, LEU207B, LEU207C, LEU289B, LEU289C, LEU294B, LEU294C, LEU360B, LEU360C, LYS106B, LYS106C, LYS284B, LYS284C, MET215B, MET215C, MET3B, MET3C, MET571B, MET571C, MET574B, MET574C, MET6B, MET6C, PHE10B, PHE10C, PHE172B, PHE172C, PHE267B, PHE267C, PHE268B, PHE268C, PHE296B, PHE296C, PHE297B, PHE297C, PRO143B, PRO143C, PRO184B, PRO184C, PRO204B, PRO204C, PRO290B, PRO290C, PRO565B, PRO565C, PRO570B, PRO570C, PRO7B, PRO7C, SER176B, SER176C, SER201B, SER201C, SER203B, SER203C, SER287B, SER287C, SER567B, SER567C, SER5B, SER5C, THR205B, THR205C, THR265B, THR265C, TYR199B, TYR199C, TYR262B, TYR262C, TYR272B, TYR272C, TYR285B, TYR285C, TYR288B, TYR288C, TYR292B, TYR292C, TYR4B, TYR4C, TYR562B, TYR562C, TYR9B, TYR9C, VAL185B, VAL185C, VAL187B, VAL187C, VAL271B, VAL271C, VAL299B, VAL299C
• B-D: ALA119B, ALA119D, ALA127B, ALA127D, ALA136B, ALA136D, ALA195B, ALA195D, ALA216B, ALA216D, ALA220B, ALA220D, ALA237B, ALA237D, ALA242B, ALA242D, ALA243B, ALA243D, ALA254B, ALA254D, ALA426B, ALA426D, ALA429B, ALA429D, ALA457B, ALA457D, ALA459B, ALA459D, ALA460B, ALA460D, ALA461B, ALA461D, ALA493B, ALA493D, ALA494B, ALA494D, ALA496B, ALA496D, ALA505B, ALA505D, ARG132B, ARG132D, ARG165B, ARG165D, ARG166B, ARG166D, ARG174B, ARG174D, ARG391B, ARG391D, ARG500B, ARG500D, ASN129B, ASN129D, ASN157B, ASN157D, ASN164B, ASN164D, ASN175B, ASN175D, ASN179B, ASN179D, ASN193B, ASN193D, ASN214B, ASN214D, ASN247B, ASN444B, ASN444D, ASN471B, ASN471D, ASN472B, ASN472D, ASN474B, ASN474D, ASN495B, ASN495D, ASN520B, ASN520D, ASN81B, ASN81D, ASP135B, ASP135D, ASP159B, ASP159D, ASP263B, ASP263D, ASP421B, ASP421D, ASP424B, ASP424D, ASP521B, ASP521D, ASP528B, ASP528D, ASP542B, ASP542D, CYS535B, CYS535D, GLN158B, GLN158D, GLN180B, GLN180D, GLN239B, GLN239D, GLN244B, GLN244D, GLN415B, GLN415D, GLN436B, GLN436D, GLN469B, GLN469D, GLN513D, GLU128B, GLU128D, GLU154B, GLU154D, GLU177B, GLU177D, GLU238B, GLU238D, GLU246B, GLU246D, GLU264B, GLU264D, GLU425B, GLU425D, GLU427B, GLU427D, GLU430B, GLU430D, GLU443B, GLU443D, GLU451B, GLU451D, GLU484B, GLU484D, GLU491B, GLU491D, GLU537B, GLU537D, GLU87B, GLU87D, GLY152B, GLY152D, GLY167B, GLY167D, GLY168B, GLY168D, GLY169B, GLY169D, GLY182B, GLY182D, GLY196B, GLY196D, GLY197B, GLY197D, GLY198B, GLY198D, GLY218B, GLY218D, GLY219B, GLY219D, GLY221B, GLY221D, GLY256B, GLY256D, GLY266B, GLY266D, GLY419B, GLY419D, GLY423B, GLY423D, GLY433B, GLY433D, GLY435B, GLY435D, GLY466B, GLY466D, GLY467B, GLY467D, GLY470B, GLY470D, GLY490B, GLY490D, GLY539B, GLY539D, HIS200B, HIS200D, HIS261B, HIS261D, HIS462B, HIS462D, ILE131B, ILE131D, ILE189B, ILE189D, ILE202B, ILE202D, ILE240B, ILE240D, ILE241B, ILE241D, ILE245B, ILE245D, ILE260B, ILE260D, ILE420B, ILE420D, ILE439B, ILE439D, ILE442B, ILE442D, ILE515B, ILE515D, ILE516B, ILE516D, LEU178B, LEU178D, LEU181B, LEU181D, LEU207B, LEU207D, LEU389B, LEU389D, LEU394B, LEU394D, LEU431B, LEU431D, LEU432B, LEU432D, LEU434B, LEU434D, LEU438B, LEU438D, LEU465B, LEU465D, LEU502B, LEU502D, LYS138B, LYS138D, LYS160B, LYS160D, LYS388B, LYS388D, LYS428B, LYS428D, LYS446B, LYS446D, LYS456D, LYS501B, LYS501D, LYS504B, LYS504D, LYS518B, LYS518D, LYS529B, LYS529D, LYS538B, LYS538D, LYS90B, LYS90D, MET118B, MET118D, MET139B, MET139D, MET215B, MET215D, MET488B, MET488D, MET497B, MET497D, MET519B, MET519D, MET522B, MET522D, MET525B, MET525D, MET540B, MET540D, PHE155B, PHE155D, PHE172B, PHE172D, PHE173B, PHE173D, PHE267B, PHE267D, PHE268B, PHE268D, PHE476B, PHE476D, PHE84B, PHE84D, PRO156B, PRO156D, PRO163B, PRO163D, PRO171B, PRO171D, PRO194B, PRO194D, PRO204B, PRO204D, PRO253B, PRO253D, PRO255B, PRO255D, PRO259B, PRO259D, PRO468B, PRO468D, PRO489B, PRO489D, PRO86B, PRO86D, SER151B, SER151D, SER176B, SER176D, SER201B, SER201D, SER203B, SER203D, SER248B, SER248D, SER257B, SER257D, SER437B, SER437D, SER441B, SER441D, SER445B, SER445D, SER449B, SER449D, SER458B, SER458D, SER477B, SER477D, SER499B, SER499D, SER530B, SER530D, THR170B, THR170D, THR192B, THR192D, THR205B, THR205D, THR265B, THR265D, THR417B, THR417D, THR418D, THR473B, THR473D, THR492B, THR492D, THR527B, THR527D, THR536B, THR536D, TRP122B, TRP122D, TRP413B, TRP413D, TYR162B, TYR162D, TYR199B, TYR199D, TYR378D, TYR440B, TYR440D, TYR463B, TYR463D, TYR485B, TYR485D, TYR486B, TYR486D, TYR498B, TYR498D, TYR526B, TYR526D, TYR534B, TYR534D, VAL153B, VAL153D, VAL161B, VAL161D, VAL217B, VAL217D, VAL252B, VAL252D, VAL401B, VAL401D, VAL422B, VAL422D, VAL464B, VAL464D, VAL475B, VAL475D, VAL487B, VAL487D, VAL503B, VAL503D, VAL541B, VAL541D
• C-D: ALA405C, ALA405D, ALA429C, ALA429D, ARG391C, ARG391D, ARG406C, ARG406D, ARG408C, ARG408D, ARG578C, ARG578D, ARG581C, ARG581D, ASN398C, ASN398D, ASN444C, ASN444D, ASP407C, ASP407D, CYS404C, CYS404D, CYS569C, CYS569D, GLN392C, GLN392D, GLN436C, GLN436D, GLN573C, GLN573D, GLU377C, GLU377D, GLU399C, GLU399D, GLU430C, GLU430D, GLU443C, GLU443D, GLU582C, GLU582D, GLY345C, GLY345D, GLY347C, GLY347D, GLY433C, GLY433D, GLY435C, GLY435D, HIS572C, HIS572D, ILE395C, ILE395D, ILE409C, ILE439C, ILE439D, ILE442C, ILE442D, ILE568C, ILE568D, LEU394C, LEU394D, LEU403C, LEU403D, LEU431C, LEU431D, LEU432C, LEU432D, LEU434C, LEU434D, LEU438C, LEU438D, LEU447C, LEU575C, LEU575D, LYS343C, LYS343D, LYS344C, LYS344D, LYS396C, LYS396D, LYS428C, LYS428D, LYS446C, LYS446D, MET397C, MET397D, MET571C, MET571D, MET574C, MET574D, MET6C, MET6D, PHE400C, PHE400D, PHE583C, PHE583D, PHE586C, PHE586D, PRO348C, PRO348D, PRO570C, PRO570D, PRO577C, PRO577D, SER437C, SER437D, SER441C, SER441D, SER445C, SER445D, SER567C, SER567D, SER579C, SER579D, THR402C, THR402D, THR576C, THR576D, THR580C, THR580D, THR585C, THR585D, TYR342C, TYR342D, TYR346C, TYR346D, TYR375C, TYR375D, TYR440C, TYR440D, TYR9C, TYR9D, VAL401C, VAL401D