2BG9

refined structure of the nicotinic acetylcholine receptor at 4a resolution.

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 221
  • Norm. En. per Res.: -1.3602
• Hub Node: A(4)

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	-11.9675	-27.513	-190.207	-229.6876	199	100	7	15105	1	41	33
A-C	0.0	0.0	-0.0452	-0.0452	9	0	0	25	0	0	0
A-D	0.0	0.0	-0.0011	-0.0011	2	0	0	3	0	0	1
A-E	-20.3758	-22.1018	-238.083	-280.5605	217	74	14	16977	2	33	34
B-C	-3.2237	12.5889	-263.76	-254.3948	235	101	16	18349	4	37	34
B-D	0.0	0.0	-0.1244	-0.1244	4	0	0	58	0	0	2
B-E	0.0	0.0	-0.0126	-0.0126	10	0	0	16	0	1	0
C-D	-24.388	-27.5114	-162.441	-214.3404	178	48	9	12491	2	32	33
C-E	0.0	0.0	-0.0096	-0.0096	10	0	0	14	0	0	0
D-E	-33.575	-52.0228	-215.011	-300.6088	221	102	11	17060	4	37	40

Interface residues

• A-B: ALA101A, ALA122A, ALA255B, ALA258B, ALA267B, ALA292B, ALA383A, ALA404B, ALA407B, ALA412B, ARG125B, ARG198B, ARG20B, ARG307B, ARG55A, ARG79A, ASN14B, ASN16B, ASN217A, ASN303B, ASN310B, ASN42A, ASN44B, ASN47B, ASN53A, ASN94B, ASN95B, ASN96B, ASP152B, ASP200B, ASP201B, ASP238A, ASP268B, ASP89B, ASP97B, GLN39A, GLN414B, GLU155B, GLU172A, GLU175A, GLU205B, GLU241A, GLU247B, GLU262A, GLU272B, GLU377A, GLU384A, GLU390A, GLU391A, GLU398A, GLU403B, GLU406B, GLU413B, GLU416B, GLU48B, GLU49B, GLU51A, GLY240A, GLY378A, GLY74A, GLY98B, HIS104A, HIS305B, HIS306B, HIS312B, HIS385A, ILE102A, ILE123A, ILE220A, ILE247A, ILE253B, ILE260A, ILE281B, ILE296B, ILE376A, ILE382A, ILE38A, ILE408B, ILE411B, ILE41A, ILE75A, ILE78A, LEU104B, LEU108A, LEU109A, LEU223A, LEU224A, LEU228A, LEU231A, LEU235A, LEU245A, LEU250A, LEU251A, LEU251B, LEU253A, LEU256B, LEU257A, LEU257B, LEU259B, LEU263A, LEU263B, LEU264B, LEU265B, LEU275B, LEU302B, LEU304B, LEU415B, LEU92B, LYS107A, LYS131B, LYS147B, LYS18B, LYS242A, LYS248B, LYS28B, LYS380A, LYS387A, LYS409B, LYS426B, LYS46B, LYS77A, MET105A, MET171A, MET243A, MET249B, MET288B, MET93B, PHE100B, PHE227A, PHE233A, PHE256A, PHE262B, PRO120A, PRO121A, PRO202B, PRO221A, PRO236A, PRO271B, PRO309B, PRO81A, SER127B, SER148B, SER154B, SER173A, SER203B, SER239A, SER246A, SER248A, SER250B, SER252A, SER252B, SER254B, SER298B, SER308B, SER374A, SER388A, SER82A, SER99B, THR106A, THR119A, THR150B, THR153B, THR237A, THR244A, THR24B, THR260B, THR311B, THR5A, TRP118A, TRP86B, TYR149B, TYR151B, TYR213A, TYR234A, TYR381A, TYR401A, TYR410B, TYR430B, VAL103A, VAL132B, VAL156B, VAL216A, VAL230A, VAL232A, VAL249A, VAL255A, VAL259A, VAL25B, VAL261B, VAL291B, VAL295B, VAL299B, VAL300B, VAL301B, VAL379A, VAL405B, VAL54A, VAL8A, VAL91B
• A-C: ILE261C, ILE376A, ILE423C, LEU245A, LEU265C, LYS380A, SER248A, SER252A, SER258C
• A-D: ILE376A, LYS380D
• A-E: ALA102E, ALA105E, ALA121E, ALA227E, ALA244E, ALA246E, ALA260E, ALA375A, ALA383A, ALA423E, ALA96A, ARG20A, ARG301A, ARG64A, ARG78E, ASN106E, ASN14A, ASN16A, ASN180E, ASN224E, ASN297A, ASN38E, ASN420E, ASN47A, ASN52E, ASN94A, ASN95A, ASP152A, ASP176E, ASP195A, ASP75E, ASP89A, ASP97A, ASP99A, CYS193A, CYS251E, GLN245E, GLN249E, GLN261E, GLN270E, GLN48A, GLU100E, GLU129A, GLU179E, GLU182E, GLU241A, GLU262A, GLU384A, GLU397A, GLU3E, GLU417E, GLU45A, GLU70E, GLU72E, GLU8E, GLY153A, GLY240A, GLY247E, GLY248E, GLY275A, GLY378A, GLY73E, GLY98A, HIS24A, HIS25A, HIS299A, HIS300A, HIS306A, HIS385A, ILE122E, ILE130A, ILE131A, ILE148A, ILE19A, ILE222E, ILE223E, ILE226E, ILE232E, ILE247A, ILE255E, ILE260A, ILE263E, ILE268E, ILE286A, ILE289A, ILE290A, ILE296A, ILE376A, ILE382A, ILE40E, ILE49A, ILE55E, ILE74E, ILE79E, ILE7E, LEU108E, LEU118E, LEU11E, LEU219E, LEU231E, LEU235E, LEU238E, LEU242E, LEU245A, LEU250A, LEU251A, LEU253A, LEU253E, LEU257A, LEU258A, LEU258E, LEU259E, LEU263A, LEU265E, LEU267E, LEU279A, LEU39E, LEU76E, LEU83E, LEU87A, LYS155A, LYS242A, LYS250E, LYS271E, LYS276A, LYS380A, LYS387A, LYS400A, LYS424E, LYS427E, MET243A, MET278A, MET282A, MET386A, PHE220E, PHE241E, PHE256A, PHE264E, PHE421E, PRO119E, PRO120E, PRO197A, PRO228E, PRO243E, PRO265A, PRO272A, PRO303A, PRO80E, PRO88A, SER233E, SER234E, SER246A, SER248A, SER252A, SER254E, SER256E, SER268A, SER269A, SER288A, SER302A, SER304A, SER414E, SER81E, THR133A, THR150A, THR154A, THR178E, THR244A, THR252E, THR254A, THR262E, THR26A, THR292A, THR298A, THR305A, THR37E, TRP117E, TRP149A, TRP54E, TRP86A, TYR103E, TYR104E, TYR110E, TYR116E, TYR127A, TYR151A, TYR190A, TYR198A, TYR221E, TYR381A, TYR401A, TYR93A, VAL101E, VAL107E, VAL109E, VAL132A, VAL156A, VAL18A, VAL22A, VAL230E, VAL236E, VAL237E, VAL239E, VAL249A, VAL255A, VAL257E, VAL259A, VAL261A, VAL285A, VAL293A, VAL294A, VAL379A, VAL416E, VAL46A, VAL53E, VAL77E, VAL91A
• B-C: ALA122B, ALA150C, ALA235B, ALA245B, ALA255B, ALA258B, ALA260C, ALA266C, ALA268C, ALA282C, ALA284C, ALA407B, ALA412B, ALA70B, ALA71B, ARG127C, ARG22C, ARG315C, ASN107B, ASN133C, ASN152C, ASN154C, ASN156C, ASN183B, ASN18C, ASN27C, ASN28C, ASN305C, ASN311C, ASN427C, ASN437C, ASN57B, ASN96C, ASN98C, ASP244B, ASP268B, ASP424C, ASP440C, ASP49C, ASP77B, ASP91C, ASP99C, CYS130C, CYS262C, CYS306C, GLN101C, GLN185B, GLN267C, GLN276C, GLN414B, GLN95C, GLU101B, GLU157C, GLU182B, GLU247B, GLU272B, GLU280C, GLU403B, GLU406B, GLU413B, GLU416B, GLU420B, GLU47C, GLU50C, GLU73B, GLY100C, GLY184B, GLY246B, GLY289C, GLY307C, GLY422C, GLY74B, HIS105B, HIS119B, HIS20C, HIS26C, HIS313C, HIS320C, ILE102B, ILE123B, ILE132C, ILE158C, ILE231B, ILE233B, ILE236B, ILE253B, ILE261C, ILE308C, ILE408B, ILE411B, ILE423C, ILE429C, ILE42B, ILE433C, ILE75B, ILE80B, ILE89C, LEU104B, LEU109B, LEU151C, LEU230B, LEU234B, LEU237B, LEU241B, LEU251B, LEU256B, LEU257B, LEU259B, LEU263B, LEU264B, LEU264C, LEU265B, LEU265C, LEU266B, LEU271C, LEU272C, LEU273C, LEU278C, LEU283C, LEU287C, LEU292C, LEU310C, LEU40B, LEU41B, LEU424B, LEU52C, LEU65B, LEU78B, LEU8B, LEU94C, LYS19C, LYS248B, LYS25C, LYS269B, LYS409B, LYS434C, LYS436C, LYS46C, LYS76B, MET249B, MET257C, MET293C, MET296C, PHE100B, PHE206C, PHE219B, PHE239B, PHE262B, PHE270C, PHE312C, PHE314C, PHE421B, PHE55B, PRO120B, PRO131C, PRO217B, PRO227B, PRO242B, PRO243B, PRO279C, PRO286C, PRO317C, PRO81B, PRO90C, SER117B, SER121B, SER128C, SER129C, SER250B, SER252B, SER254B, SER258C, SER275C, SER276B, SER297C, SER318C, SER39B, SER417B, SER421C, SER425C, SER53B, SER79B, SER82B, THR103B, THR181B, THR224B, THR259C, THR260B, THR273B, THR274C, THR281C, THR300C, THR316C, THR319C, THR36B, THR38B, THR426C, THR48C, THR51B, THR51C, THR52B, TRP118B, TRP186B, TRP67B, TRP88C, TYR102C, TYR124B, TYR153C, TYR220B, TYR223B, TYR240B, TYR410B, TYR428C, VAL106B, VAL108B, VAL110B, VAL134C, VAL21C, VAL222B, VAL226B, VAL238B, VAL24C, VAL261B, VAL263C, VAL269C, VAL277B, VAL285C, VAL299C, VAL303C, VAL304C, VAL309C, VAL405B, VAL430C, VAL54B, VAL93C
• B-D: ILE376D, LYS380D, LYS409B, VAL405B
• B-E: ASN420E, ILE263E, ILE408B, LEU257B, LYS409B, LYS427E, SER256E, VAL261B, VAL405B, VAL416E
• C-D: ALA105C, ALA251C, ALA260C, ALA266C, ALA268C, ALA375D, ALA383D, ALA438C, ALA96D, ARG20D, ARG277C, ARG301D, ARG81C, ARG83C, ASN103C, ASN109C, ASN14D, ASN187C, ASN231C, ASN297D, ASN41C, ASN427C, ASN47D, ASN94D, ASP152D, ASP424C, ASP59C, ASP89D, ASP97D, ASP99D, CYS108C, CYS128D, CYS262C, GLN267C, GLN48D, GLU129D, GLU186C, GLU252C, GLU255C, GLU262D, GLU377D, GLU435C, GLU441C, GLU5C, GLY254C, GLY275D, GLY378D, GLY422C, GLY98D, HIS25D, HIS299D, HIS300D, HIS306D, HIS385D, ILE125C, ILE130D, ILE131D, ILE13C, ILE19D, ILE230C, ILE239C, ILE247D, ILE260D, ILE261C, ILE264D, ILE286D, ILE289D, ILE290D, ILE296D, ILE376D, ILE382D, ILE423C, ILE429C, ILE433C, ILE43C, ILE49D, ILE77C, ILE79C, LEU111C, LEU121C, LEU238C, LEU242C, LEU245C, LEU245D, LEU249C, LEU250D, LEU251D, LEU253D, LEU257D, LEU258D, LEU264C, LEU265C, LEU271C, LEU273C, LEU279D, LEU42C, LEU80C, LEU82C, LEU86C, LEU87D, LYS155D, LYS17D, LYS256C, LYS380D, LYS400D, LYS431C, LYS434C, MET243D, MET257C, MET278D, MET282D, MET386D, MET58C, PHE227C, PHE232C, PHE241C, PHE256D, PHE270C, PRO122C, PRO123C, PRO235C, PRO265D, PRO303D, PRO88D, SER246D, SER248D, SER252D, SER253C, SER258C, SER287D, SER302D, SER304D, SER374D, SER40C, SER421C, SER425C, SER78C, THR150D, THR154D, THR185C, THR234C, THR244D, THR254D, THR259C, THR274C, THR292D, THR298D, THR305D, THR426C, TRP120C, TRP149D, TRP57C, TRP86D, TYR106C, TYR127D, TYR151D, TYR248C, TYR428C, TYR93D, VAL104C, VAL110C, VAL132D, VAL156D, VAL18D, VAL22D, VAL249D, VAL255D, VAL259D, VAL261D, VAL263C, VAL269C, VAL285D, VAL293D, VAL294D, VAL379D, VAL430C, VAL56C, VAL91D
• C-E: ALA266C, CYS262C, ILE263E, ILE423C, LEU259E, PHE270C, THR252E, THR259C, VAL269C, VAL416E
• D-E: ALA101D, ALA122D, ALA130E, ALA152E, ALA260E, ALA269E, ALA375D, ALA383D, ALA418E, ALA423E, ALA48E, ARG124E, ARG146E, ARG17E, ARG309E, ARG55D, ARG79D, ASN151E, ASN195E, ASN217D, ASN299E, ASN305E, ASN312E, ASN420E, ASN42D, ASN430E, ASN43E, ASN53D, ASN93E, ASN94E, ASP15E, ASP201E, ASP238D, ASP25E, ASP83D, ASP88E, ASP96E, CYS251E, CYS300E, CYS415E, CYS419E, GLN148E, GLN197E, GLN261E, GLN270E, GLN36D, GLN39D, GLN429E, GLN98E, GLU154E, GLU172D, GLU175D, GLU241D, GLU262D, GLU377D, GLU384D, GLU390D, GLU391D, GLU417E, GLU44E, GLU46E, GLU47E, GLU51D, GLU92E, GLY240D, GLY283E, GLY378D, GLY74D, GLY97E, HIS104D, HIS153E, HIS314E, HIS385D, ILE102D, ILE123D, ILE129E, ILE203E, ILE219D, ILE220D, ILE247D, ILE255E, ILE260D, ILE263E, ILE264D, ILE282E, ILE296E, ILE302E, ILE376D, ILE38D, ILE41D, ILE422E, ILE75D, ILE78D, LEU108D, LEU109D, LEU12D, LEU198E, LEU223D, LEU224D, LEU228D, LEU231D, LEU235D, LEU245D, LEU24E, LEU250D, LEU251D, LEU253D, LEU253E, LEU257D, LEU258E, LEU259E, LEU263D, LEU265E, LEU267E, LEU277E, LEU281E, LEU286E, LEU294E, LEU304E, LEU308E, LEU37D, LEU40D, LEU49E, LEU80D, LEU91E, LYS107D, LYS19E, LYS200E, LYS242D, LYS250E, LYS271E, LYS284E, LYS380D, LYS387D, LYS424E, LYS427E, LYS45E, LYS77D, MET105D, MET171D, MET243D, MET290E, PHE205E, PHE225D, PHE227D, PHE233D, PHE256D, PHE264E, PHE266E, PHE291E, PHE421E, PHE99E, PRO120D, PRO121D, PRO128E, PRO211D, PRO221D, PRO236D, PRO273E, PRO311E, PRO81D, SER125E, SER147E, SER168D, SER173D, SER239D, SER246D, SER248D, SER252D, SER254E, SER256E, SER276E, SER293E, SER307E, SER374D, SER388D, SER414E, SER425E, SER82D, THR106D, THR126E, THR149E, THR169D, THR199E, THR229D, THR237D, THR244D, THR252E, THR254D, THR262E, THR267D, THR298E, THR310E, THR313E, THR426E, THR52D, TRP176D, TYR150E, TYR213D, TYR234D, TYR381D, VAL103D, VAL131E, VAL155E, VAL216D, VAL230D, VAL232D, VAL249D, VAL255D, VAL257E, VAL259D, VAL297E, VAL301E, VAL303E, VAL306E, VAL379D, VAL416E, VAL43D, VAL8D, VAL90E, VAL95E