1POI

crystal structure of glutaconate coenzyme a-transferase from acidaminococcus fermentans to 2.55 angstoms resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 95
  • Norm. En. per Res.: -3.7128
• 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	-94.513	-8.7437	-531.892	-635.1486	192	33	7	21626	7	41	48
A-C	0.0	7.7441	-255.724	-247.9799	110	12	4	11185	0	20	18
A-D	-29.8456	-57.4363	-230.385	-317.6669	96	9	2	8995	5	31	26
B-C	-53.196	-64.7132	-234.804	-352.7132	95	6	2	9234	5	31	27
B-D	0.0	0.0	-0.169	-0.169	6	0	0	59	0	0	1
C-D	-97.7196	-1.5343	-567.794	-667.0479	188	29	7	21991	7	41	47

Interface residues

• A-B: ALA112A, ALA138B, ALA142B, ALA257B, ALA53A, ALA54A, ALA76A, ALA76B, ALA93A, ARG131B, ARG177B, ARG179B, ARG30A, ARG67B, ARG73B, ARG85A, ARG86B, ARG88A, ASN116B, ASN118B, ASN139B, ASN259A, ASN72A, ASN77A, ASN82A, ASN84B, ASP100A, ASP104A, ASP124B, ASP132A, ASP163B, ASP198A, ASP200A, ASP256A, ASP29A, ASP315A, ASP71B, CYS251A, CYS73A, CYS78B, GLN103A, GLN126A, GLN181A, GLN197A, GLN250A, GLU133A, GLU163A, GLU178B, GLU54B, GLU64B, GLU91B, GLU92A, GLU99A, GLY127A, GLY129A, GLY134B, GLY135A, GLY136B, GLY137B, GLY140B, GLY162A, GLY169B, GLY176B, GLY181B, GLY193A, GLY194A, GLY253A, GLY309A, GLY311A, GLY52A, GLY55A, GLY56B, GLY70B, GLY79A, GLY89B, GLY94A, HIS111A, HIS126B, HIS127B, HIS313A, HIS77B, ILE106A, ILE122B, ILE136A, ILE141B, ILE162B, ILE171B, ILE191A, ILE314A, ILE81B, ILE92B, LEU115A, LEU120A, LEU124A, LEU130A, LEU180B, LEU182B, LEU254A, LEU262A, LEU304A, LEU310A, LEU57B, LEU72B, LEU96A, LEU96B, LYS129B, LYS151A, LYS160A, LYS164A, LYS195A, LYS263A, LYS89A, LYS95A, MET108A, MET109A, MET125A, MET75B, MET98A, PHE132B, PHE196A, PHE258B, PHE26A, PHE74B, PHE87A, PHE87B, PHE91A, PRO128B, PRO168B, PRO183B, PRO260A, PRO308A, PRO62B, PRO66B, PRO83B, SER102A, SER119B, SER121B, SER128A, SER135B, SER137A, SER167B, SER249A, SER55B, SER61B, SER68B, SER78A, SER84A, THR120B, THR123A, THR130B, THR131A, THR133B, THR143B, THR166B, THR27A, THR28A, THR31B, THR75A, THR81A, TRP110A, TRP134A, TRP192A, TRP82B, TRP90A, TYR101A, TYR107A, TYR125B, TYR144B, TYR154A, TYR164B, TYR252A, TYR255A, TYR257A, TYR312A, TYR70A, TYR74A, VAL105A, VAL117B, VAL122A, VAL165A, VAL165B, VAL199A, VAL306A, VAL307A, VAL53B, VAL63B, VAL65B, VAL69B, VAL80A, VAL83A, VAL85B, VAL88B
• A-C: ALA112A, ALA112C, ALA114A, ALA114C, ALA167A, ALA167C, ARG141C, ARG224A, ARG224C, ASN157A, ASN157C, ASP149A, ASP149C, ASP150A, ASP150C, ASP156A, ASP156C, ASP200A, ASP200C, ASP225A, ASP225C, GLN172A, GLN172C, GLN181C, GLU163A, GLU163C, GLY116A, GLY116C, GLY193A, GLY193C, GLY194A, GLY194C, GLY253A, GLY253C, GLY309A, GLY309C, GLY311C, HIS111A, HIS111C, ILE155A, ILE155C, ILE191A, ILE191C, LEU115A, LEU115C, LEU117A, LEU117C, LEU120A, LEU120C, LEU124A, LEU124C, LYS138A, LYS138C, LYS151A, LYS151C, LYS153A, LYS153C, LYS160A, LYS160C, LYS164A, LYS164C, LYS195A, LYS195C, LYS228A, LYS228C, MET108A, MET108C, PHE119A, PHE119C, PHE152A, PHE152C, PHE159A, PHE159C, PRO118A, PRO118C, PRO121A, PRO121C, PRO148A, PRO148C, PRO158A, PRO158C, PRO161A, PRO161C, PRO169A, PRO169C, PRO226A, PRO226C, THR123A, THR123C, THR227A, THR227C, TRP134A, TRP134C, TRP192A, TRP192C, TYR101C, TYR154A, TYR154C, TYR252A, TYR252C, VAL122A, VAL122C, VAL165A, VAL165C, VAL166A, VAL166C, VAL168A, VAL168C, VAL170A, VAL170C
• A-D: ALA112A, ALA113A, ALA114A, ALA202A, ALA204A, ALA205A, ALA76D, ALA99D, ARG101D, ARG190A, ARG223A, ARG224A, ARG86D, ASN229A, ASN84D, ASN93D, ASP174A, ASP186A, ASP198A, ASP200A, ASP219A, ASP225A, ASP230A, ASP237A, ASP48D, ASP59D, CYS235A, CYS49D, CYS60D, CYS78D, CYS80D, GLN172A, GLN197A, GLN25D, GLU203A, GLU91D, GLU94D, GLY116A, GLY233A, GLY24D, GLY56D, GLY79D, GLY89D, HIS111A, HIS50D, HIS77D, HIS97D, ILE201A, ILE222A, ILE231A, ILE51D, ILE52D, ILE81D, ILE92D, LEU102D, LEU115A, LEU117A, LEU57D, LEU72D, LEU96D, LYS195A, LYS206A, LYS228A, LYS3A, LYS42D, LYS98D, MET234A, MET58D, MET75D, PHE196A, PHE74D, PHE87D, PHE90D, PRO118A, PRO171A, PRO226A, PRO232A, PRO83D, SER61D, THR188A, THR208A, THR227A, TRP110A, TRP82D, TYR144D, TYR207A, VAL170A, VAL173A, VAL189A, VAL199A, VAL236A, VAL26D, VAL27D, VAL53D, VAL85D, VAL88D
• B-C: ALA112C, ALA113C, ALA114C, ALA202C, ALA204C, ALA205C, ALA76B, ALA99B, ARG101B, ARG190C, ARG223C, ARG224C, ARG86B, ASN229C, ASN84B, ASN93B, ASP174C, ASP186C, ASP198C, ASP200C, ASP219C, ASP225C, ASP230C, ASP237C, ASP48B, ASP59B, CYS235C, CYS49B, CYS60B, CYS78B, CYS80B, GLN172C, GLN197C, GLN25B, GLU203C, GLU91B, GLU94B, GLY116C, GLY233C, GLY24B, GLY56B, GLY79B, GLY89B, HIS111C, HIS50B, HIS77B, HIS97B, ILE201C, ILE222C, ILE231C, ILE51B, ILE52B, ILE81B, ILE92B, LEU102B, LEU115C, LEU117C, LEU57B, LEU96B, LYS195C, LYS206C, LYS228C, LYS3C, LYS42B, LYS98B, MET234C, MET58B, MET75B, PHE196C, PHE74B, PHE87B, PHE90B, PRO118C, PRO171C, PRO226C, PRO232C, PRO83B, SER61B, THR188C, THR208C, THR227C, TRP110C, TRP82B, TYR144B, TYR207C, VAL170C, VAL173C, VAL189C, VAL199C, VAL236C, VAL26B, VAL27B, VAL53B, VAL85B, VAL88B
• B-D: ARG86B, ARG86D, PRO83B, PRO83D, VAL85B, VAL85D
• C-D: ALA112C, ALA138D, ALA142D, ALA257D, ALA53C, ALA54C, ALA76C, ALA76D, ALA93C, ARG131D, ARG177D, ARG179D, ARG30C, ARG67D, ARG73D, ARG86D, ARG88C, ASN116D, ASN118D, ASN139D, ASN259C, ASN72C, ASN77C, ASN82C, ASN84D, ASP100C, ASP104C, ASP124D, ASP132C, ASP163D, ASP198C, ASP200C, ASP256C, ASP29C, ASP71D, CYS251C, CYS73C, CYS78D, GLN103C, GLN126C, GLN181C, GLN197C, GLN250C, GLU133C, GLU163C, GLU319C, GLU54D, GLU64D, GLU91D, GLU92C, GLU99C, GLY123D, GLY127C, GLY129C, GLY134D, GLY135C, GLY136D, GLY137D, GLY140D, GLY169D, GLY176D, GLY181D, GLY193C, GLY194C, GLY253C, GLY25C, GLY309C, GLY311C, GLY52C, GLY55C, GLY56D, GLY70D, GLY79C, GLY89D, GLY94C, HIS111C, HIS126D, HIS127D, HIS313C, HIS77D, ILE106C, ILE122D, ILE136C, ILE141D, ILE162D, ILE171D, ILE191C, ILE314C, ILE81D, ILE92D, LEU115C, LEU120C, LEU124C, LEU130C, LEU180D, LEU182D, LEU254C, LEU262C, LEU304C, LEU310C, LEU57D, LEU72D, LEU96C, LEU96D, LYS129D, LYS151C, LYS160C, LYS164C, LYS195C, LYS263C, LYS89C, MET108C, MET109C, MET125C, MET75D, MET98C, PHE132D, PHE196C, PHE258D, PHE26C, PHE74D, PHE87C, PHE87D, PHE91C, PRO128D, PRO168D, PRO183D, PRO62D, PRO66D, PRO83D, SER102C, SER119D, SER121D, SER128C, SER135D, SER137C, SER167D, SER249C, SER55D, SER61D, SER68D, SER78C, SER84C, THR120D, THR123C, THR130D, THR131C, THR133D, THR143D, THR166D, THR27C, THR28C, THR31D, THR75C, THR81C, TRP110C, TRP134C, TRP192C, TRP82D, TRP90C, TYR101C, TYR107C, TYR125D, TYR144D, TYR154C, TYR164D, TYR252C, TYR255C, TYR257C, TYR312C, TYR70C, TYR74C, VAL105C, VAL117D, VAL122C, VAL165D, VAL166C, VAL199C, VAL306C, VAL307C, VAL53D, VAL63D, VAL65D, VAL69D, VAL80C, VAL83C, VAL85D, VAL88D