3KG2

ampa subtype ionotropic glutamate receptor in complex with competitive antagonist zk 200775

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 263
  • Norm. En. per Res.: -2.3715
• 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	-17.3309	25.3702	-603.244	-595.2048	318	33	37	28781	0	56	65
A-C	0.0	3.907	-4.079	-0.172	24	1	1	436	0	10	9
A-D	-65.9381	5.3801	-563.145	-623.703	263	37	35	26653	2	73	61
B-C	-59.0888	6.2837	-565.423	-618.228	266	39	37	26626	2	67	59
B-D	-5.3424	0.0	-87.8754	-93.2178	61	4	5	3565	0	10	22
C-D	-18.0223	25.25	-621.459	-614.2313	304	30	38	29155	0	48	65

Interface residues

• A-B: ALA148A, ALA148B, ALA153A, ALA153B, ALA154A, ALA154B, ALA162A, ALA162B, ALA317A, ALA317B, ALA320A, ALA320B, ALA522A, ALA532A, ALA53A, ALA53B, ALA57A, ALA57B, ALA583B, ALA618A, ALA618B, ALA61A, ALA61B, ALA621A, ALA621B, ALA622A, ALA622B, ALA677A, ALA775B, ALA786B, ALA793B, ALA806B, ALA810B, ARG594A, ARG599A, ARG675A, ASN164A, ASN164B, ASN167A, ASN167B, ASN318A, ASN318B, ASN54A, ASN54B, ASN575B, ASN60A, ASN60B, ASN619A, ASN619B, ASN764B, ASN791B, ASN83A, ASN83B, ASP104A, ASP104B, ASP138A, ASP138B, ASP151A, ASP151B, ASP183A, ASP183B, ASP314A, ASP314B, ASP519A, ASP769B, ASP777B, ASP78A, ASP78B, CYS315A, CYS315B, CYS528A, CYS63A, CYS63B, CYS773B, CYS89A, CYS89B, GLN147A, GLN147B, GLN159A, GLN159B, GLN182A, GLN586A, GLN586B, GLN642A, GLU155A, GLU155B, GLU185A, GLU189A, GLU524A, GLU627A, GLU627B, GLU644A, GLU678A, GLU772B, GLU782B, GLU813B, GLY105A, GLY105B, GLY142A, GLY142B, GLY166A, GLY166B, GLY535A, GLY582B, GLY598A, GLY602A, GLY603A, GLY771B, GLY774B, GLY779B, GLY794B, GLY801B, GLY802B, GLY804B, GLY90A, GLY90B, HIS107A, HIS107B, ILE163A, ILE163B, ILE525A, ILE529A, ILE529B, ILE534A, ILE573B, ILE600A, ILE611A, ILE612A, ILE612B, ILE613A, ILE613B, ILE645A, ILE798B, ILE812B, ILE85A, ILE85B, LEU143A, LEU143B, LEU146A, LEU146B, LEU150A, LEU150B, LEU180A, LEU180B, LEU184A, LEU184B, LEU186A, LEU186B, LEU316A, LEU316B, LEU50A, LEU50B, LEU518A, LEU518B, LEU521A, LEU521B, LEU540A, LEU542A, LEU577B, LEU581B, LEU596A, LEU610A, LEU610B, LEU620A, LEU620B, LEU624A, LEU624B, LEU787B, LEU789B, LEU799B, LEU803B, LEU805B, LEU808B, LEU811B, LEU92A, LEU92B, LYS156A, LYS156B, LYS157A, LYS157B, LYS187A, LYS187B, LYS641A, LYS765B, LYS770B, LYS776B, LYS781B, LYS783B, LYS79A, LYS79B, LYS80A, LYS80B, MET527A, MET585B, MET629A, MET807B, PHE517B, PHE531A, PHE56A, PHE56B, PHE574B, PHE579B, PHE584B, PHE607A, PHE608A, PHE623A, PHE623B, PHE62A, PHE62B, PHE66B, PHE796B, PHE814B, PHE88A, PHE88B, PRO319A, PRO319B, PRO520A, PRO520B, PRO593A, SER139A, SER139B, SER144A, SER144B, SER152A, SER152B, SER179A, SER179B, SER537A, SER544A, SER55A, SER55B, SER576B, SER580B, SER595A, SER597A, SER614A, SER614B, SER615A, SER640A, SER64A, SER64B, SER676A, SER67A, SER67B, SER778B, SER780B, SER785B, SER788B, SER790B, SER81A, SER81B, SER87A, SER87B, THR161A, THR161B, THR59A, THR59B, THR609A, THR609B, THR617A, THR617B, THR625A, THR625B, THR643A, THR672A, THR784B, THR84A, THR84B, THR86A, THR86B, THR91A, THR91B, TRP158A, TRP158B, TRP526A, TRP526B, TRP578B, TRP605A, TRP606A, TRP606B, TYR135A, TYR135B, TYR137A, TYR137B, TYR523A, TYR533A, TYR533B, TYR616A, TYR616B, TYR673A, TYR768B, TYR797B, VAL149A, VAL149B, VAL160A, VAL160B, VAL165A, VAL165B, VAL321A, VAL321B, VAL530A, VAL536A, VAL538A, VAL539A, VAL543A, VAL58A, VAL58B, VAL601A, VAL604A, VAL626A, VAL626B, VAL630A, VAL792B, VAL795B, VAL800B, VAL809B, VAL82A, VAL82B
• A-C: ALA618A, ALA618C, ALA621A, ALA621C, ALA622A, ALA622C, ALA665A, ALA665C, ASP668A, ASP668C, LYS663C, LYS669A, LYS669C, MET629A, MET629C, SER614A, SER614C, THR617A, THR617C, THR625A, THR625C, THR672A, VAL626A, VAL626C
• A-D: ALA522D, ALA532D, ALA583A, ALA618A, ALA618D, ALA621A, ALA621D, ALA622A, ALA622D, ALA665A, ALA665D, ALA749A, ALA749D, ALA786A, ALA793A, ALA806A, ALA810A, ARG485A, ARG485D, ARG594D, ARG599D, ARG628A, ARG628D, ARG661A, ARG661D, ASN575A, ASN619A, ASN619D, ASN726A, ASN747A, ASN747D, ASN764A, ASN764D, ASN791A, ASP490A, ASP490D, ASP519D, ASP638A, ASP638D, ASP728A, ASP728D, ASP760A, ASP760D, CYS528D, GLN586A, GLN586D, GLN756A, GLN756D, GLU486A, GLU486D, GLU487A, GLU487D, GLU524D, GLU627A, GLU627D, GLU634D, GLU637A, GLU755A, GLU755D, GLU782A, GLU782D, GLU813A, GLY535D, GLY582A, GLY598D, GLY602D, GLY603D, GLY725A, GLY725D, GLY731A, GLY731D, GLY733A, GLY733D, GLY757A, GLY757D, GLY794A, GLY801A, GLY802A, GLY804A, ILE481A, ILE481D, ILE489A, ILE489D, ILE525D, ILE529A, ILE529D, ILE573A, ILE600D, ILE611D, ILE612A, ILE612D, ILE613A, ILE613D, ILE664A, ILE664D, ILE734A, ILE734D, ILE798A, ILE812A, LEU483A, LEU483D, LEU498A, LEU498D, LEU518A, LEU518D, LEU521A, LEU521D, LEU540D, LEU542D, LEU577A, LEU581A, LEU596D, LEU610A, LEU610D, LEU620A, LEU620D, LEU624A, LEU624D, LEU727A, LEU727D, LEU748A, LEU748D, LEU751A, LEU751D, LEU753A, LEU753D, LEU758A, LEU758D, LEU759A, LEU759D, LEU787A, LEU789A, LEU799A, LEU803A, LEU805A, LEU808A, LEU811A, LYS493A, LYS493D, LYS663A, LYS663D, LYS730A, LYS730D, LYS752A, LYS752D, LYS761A, LYS761D, LYS763A, LYS763D, LYS776D, LYS781A, MET496A, MET496D, MET527D, MET585A, MET629A, MET629D, MET807A, PHE491A, PHE491D, PHE495A, PHE495D, PHE515D, PHE517A, PHE531D, PHE574A, PHE579A, PHE584A, PHE607D, PHE608D, PHE623A, PHE623D, PHE658A, PHE658D, PHE667A, PHE667D, PHE796A, PHE814A, PRO494A, PRO494D, PRO520A, PRO520D, PRO593D, PRO632A, PRO632D, PRO745D, SER492A, SER492D, SER497A, SER497D, SER516D, SER537D, SER544D, SER576A, SER580A, SER595D, SER597D, SER614A, SER614D, SER615D, SER631A, SER631D, SER635A, SER635D, SER662A, SER662D, SER729A, SER729D, SER754A, SER754D, SER780A, SER785A, SER788A, SER790A, THR480A, THR480D, THR482A, THR482D, THR609A, THR609D, THR617A, THR617D, THR625A, THR625D, THR744A, THR744D, THR784A, TRP526A, TRP526D, TRP578A, TRP605D, TRP606A, TRP606D, TYR523D, TYR533A, TYR533D, TYR616A, TYR616D, TYR732A, TYR797A, VAL484A, VAL484D, VAL488A, VAL488D, VAL530D, VAL536D, VAL538D, VAL539D, VAL543D, VAL601D, VAL604D, VAL626A, VAL626D, VAL630A, VAL630D, VAL666A, VAL666D, VAL750A, VAL750D, VAL792A, VAL795A, VAL800A, VAL809A
• B-C: ALA522B, ALA532B, ALA583C, ALA618B, ALA618C, ALA621B, ALA621C, ALA622B, ALA622C, ALA665B, ALA665C, ALA749B, ALA749C, ALA786C, ALA793C, ALA806C, ALA810C, ARG485B, ARG485C, ARG594B, ARG599B, ARG628B, ARG628C, ARG661B, ARG661C, ASN575C, ASN619B, ASN619C, ASN726C, ASN747B, ASN747C, ASN764B, ASN764C, ASN791C, ASP490B, ASP490C, ASP519B, ASP638B, ASP638C, ASP728B, ASP728C, ASP760B, ASP760C, CYS528B, GLN586B, GLN586C, GLN756B, GLN756C, GLU486B, GLU486C, GLU487B, GLU487C, GLU524B, GLU627B, GLU627C, GLU634B, GLU637C, GLU755B, GLU755C, GLU782C, GLU813C, GLY535B, GLY582C, GLY598B, GLY602B, GLY603B, GLY725B, GLY725C, GLY731B, GLY731C, GLY733B, GLY733C, GLY757B, GLY757C, GLY794C, GLY801C, GLY802C, GLY804C, ILE481B, ILE481C, ILE489B, ILE489C, ILE525B, ILE529B, ILE529C, ILE534B, ILE573C, ILE600B, ILE611B, ILE612B, ILE612C, ILE613B, ILE613C, ILE664B, ILE664C, ILE734B, ILE734C, ILE798C, ILE812C, LEU483B, LEU483C, LEU498B, LEU498C, LEU518B, LEU518C, LEU521B, LEU521C, LEU540B, LEU542B, LEU577C, LEU581C, LEU596B, LEU610B, LEU610C, LEU620B, LEU620C, LEU624B, LEU624C, LEU727B, LEU727C, LEU748B, LEU748C, LEU751B, LEU751C, LEU753B, LEU753C, LEU758B, LEU758C, LEU759B, LEU759C, LEU787C, LEU789C, LEU799C, LEU803C, LEU805C, LEU808C, LEU811C, LYS493B, LYS493C, LYS663B, LYS663C, LYS730B, LYS730C, LYS752B, LYS752C, LYS761B, LYS761C, LYS763B, LYS763C, LYS776B, LYS781C, LYS783C, MET496B, MET496C, MET527B, MET585C, MET629B, MET629C, MET807C, PHE491B, PHE491C, PHE495B, PHE495C, PHE517C, PHE531B, PHE541B, PHE574C, PHE579C, PHE584C, PHE607B, PHE608B, PHE623B, PHE623C, PHE658B, PHE658C, PHE667B, PHE667C, PHE796C, PHE814C, PRO494B, PRO494C, PRO520B, PRO520C, PRO593B, PRO632B, PRO632C, PRO745B, PRO745C, SER492B, SER492C, SER497B, SER497C, SER516B, SER537B, SER544B, SER576C, SER580C, SER595B, SER597B, SER614B, SER614C, SER615B, SER631B, SER631C, SER635B, SER635C, SER662B, SER662C, SER729B, SER729C, SER754B, SER754C, SER780C, SER785C, SER788C, SER790C, THR480B, THR480C, THR482B, THR482C, THR609B, THR609C, THR617B, THR617C, THR625B, THR625C, THR744B, THR744C, THR784C, TRP526B, TRP526C, TRP578C, TRP605B, TRP606B, TRP606C, TYR523B, TYR533B, TYR533C, TYR616B, TYR616C, TYR732B, TYR732C, TYR797C, VAL484B, VAL484C, VAL488B, VAL488C, VAL530B, VAL536B, VAL538B, VAL539B, VAL543B, VAL601B, VAL604B, VAL626B, VAL626C, VAL630B, VAL630C, VAL666B, VAL666C, VAL750B, VAL750C, VAL792C, VAL795C, VAL800C, VAL809C
• B-D: ALA240B, ALA240D, ALA618B, ALA618D, ALA621B, ALA621D, ALA622B, ALA622D, ARG178B, ARG178D, ASP174B, ASP174D, ASP206B, ASP206D, GLN207B, GLN207D, GLN236B, GLN236D, GLY212B, GLY212D, GLY238B, GLY238D, GLY239B, GLY239D, HIS214B, HIS214D, ILE209B, ILE209D, ILE211B, ILE211D, ILE235B, ILE235D, LEU232B, LEU233B, LEU233D, LYS213B, LYS213D, LYS216B, LYS216D, LYS234B, LYS234D, PHE237B, PHE237D, SER614B, SER614D, THR210B, THR210D, THR365B, THR365D, THR617B, THR617D, THR625B, THR625D, TYR218B, TYR218D, VAL208B, VAL208D, VAL215B, VAL215D, VAL626B, VAL626D
• C-D: ALA134D, ALA148C, ALA148D, ALA153C, ALA153D, ALA154C, ALA154D, ALA162C, ALA162D, ALA317C, ALA317D, ALA320C, ALA320D, ALA522C, ALA532C, ALA53C, ALA53D, ALA57C, ALA57D, ALA583D, ALA618C, ALA618D, ALA61C, ALA61D, ALA621C, ALA621D, ALA622C, ALA622D, ALA786D, ALA793D, ALA806D, ALA810D, ARG594C, ARG599C, ARG628C, ASN164C, ASN164D, ASN167C, ASN167D, ASN318C, ASN318D, ASN54C, ASN54D, ASN575D, ASN60C, ASN60D, ASN619C, ASN619D, ASN791D, ASN83C, ASN83D, ASP104C, ASP104D, ASP138C, ASP138D, ASP151C, ASP151D, ASP183C, ASP183D, ASP314C, ASP314D, ASP519C, ASP769D, ASP777D, ASP78C, ASP78D, CYS315C, CYS315D, CYS528C, CYS63C, CYS63D, CYS89C, CYS89D, GLN147C, GLN147D, GLN159C, GLN159D, GLN182D, GLN586C, GLN586D, GLN642C, GLU155C, GLU155D, GLU185D, GLU189D, GLU524C, GLU627C, GLU627D, GLU644C, GLU782D, GLU813D, GLY105C, GLY105D, GLY142C, GLY142D, GLY166D, GLY535C, GLY582D, GLY598C, GLY602C, GLY603C, GLY774D, GLY794D, GLY801D, GLY802D, GLY804D, GLY90C, GLY90D, HIS107C, HIS107D, ILE163C, ILE163D, ILE525C, ILE529C, ILE529D, ILE573D, ILE600C, ILE611C, ILE612C, ILE612D, ILE613C, ILE613D, ILE798D, ILE812D, ILE85C, ILE85D, LEU143C, LEU143D, LEU146C, LEU146D, LEU150C, LEU150D, LEU180C, LEU180D, LEU184C, LEU184D, LEU186C, LEU186D, LEU316C, LEU316D, LEU50C, LEU50D, LEU518C, LEU518D, LEU521C, LEU521D, LEU540C, LEU542C, LEU577D, LEU581D, LEU596C, LEU610C, LEU610D, LEU620C, LEU620D, LEU624C, LEU624D, LEU787D, LEU789D, LEU799D, LEU803D, LEU805D, LEU808D, LEU811D, LEU92C, LEU92D, LYS156C, LYS156D, LYS157C, LYS157D, LYS187C, LYS187D, LYS641C, LYS770D, LYS781D, LYS783D, LYS79C, LYS79D, LYS80C, LYS80D, MET527C, MET585D, MET629C, MET807D, PHE517D, PHE531C, PHE56C, PHE56D, PHE574D, PHE579D, PHE584D, PHE607C, PHE608C, PHE623C, PHE623D, PHE62C, PHE62D, PHE66C, PHE66D, PHE796D, PHE814D, PHE88C, PHE88D, PRO319C, PRO319D, PRO520C, PRO520D, PRO593C, SER139C, SER139D, SER144C, SER144D, SER152C, SER152D, SER179C, SER179D, SER537C, SER544C, SER55C, SER55D, SER576D, SER580D, SER595C, SER597C, SER614C, SER614D, SER615C, SER631C, SER64C, SER64D, SER676C, SER67C, SER67D, SER778D, SER780D, SER785D, SER788D, SER790D, SER81C, SER81D, SER87C, SER87D, THR161C, THR161D, THR59C, THR59D, THR609C, THR609D, THR617C, THR617D, THR625C, THR625D, THR643C, THR672C, THR784D, THR84C, THR84D, THR86C, THR86D, THR91C, THR91D, TRP158C, TRP158D, TRP526C, TRP526D, TRP578D, TRP605C, TRP606C, TRP606D, TYR135C, TYR135D, TYR137C, TYR137D, TYR523C, TYR533C, TYR533D, TYR616C, TYR616D, TYR797D, VAL149C, VAL149D, VAL160C, VAL160D, VAL165D, VAL321C, VAL321D, VAL530C, VAL536C, VAL538C, VAL539C, VAL543C, VAL58C, VAL58D, VAL601C, VAL604C, VAL626C, VAL626D, VAL630C, VAL792D, VAL795D, VAL800D, VAL809D, VAL82C, VAL82D