3QD6

crystal structure of the cd40 and cd154 (cd40l) complex

• Total interactions analyzed: 45
• Total true interactions: 17
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 105
  • Norm. En. per Res.: -2.7576
• Hub Node: B(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	-22.3293	6.1276	-248.371	-264.5727	104	17	9	10801	0	2	11
A-C	-48.7719	6.2756	-241.995	-284.4913	107	20	9	10858	0	2	11
A-S	-3.6859	-9.0115	-66.2597	-78.9571	44	1	0	2538	2	16	17
B-C	-14.5224	6.314	-248.019	-256.2274	105	7	9	10686	0	2	11
B-D	0.0	-2.2591	-25.9334	-28.1925	35	0	0	1544	0	7	6
B-R	-3.1714	-3.4893	-154.693	-161.3536	67	5	0	6224	0	19	20
B-T	-15.6015	-23.9177	-87.2128	-126.7321	62	10	0	3814	1	17	14
C-R	-7.557	-4.4334	-78.8303	-90.8207	48	2	0	2907	1	18	20
C-S	0.0	-8.2061	-151.503	-159.7091	68	8	0	5969	0	20	20
D-E	-15.5045	6.2526	-239.915	-249.1668	105	13	9	11055	0	2	11
D-F	-36.3347	6.2275	-247.184	-277.2912	107	11	9	10653	0	2	11
D-R	0.0	-1.0452	-7.3757	-8.4209	24	2	0	583	0	5	5
D-T	-2.9496	-5.669	-159.955	-168.5736	70	7	0	6359	0	19	20
E-F	-46.6726	6.2032	-249.076	-289.5454	105	20	9	11132	0	2	11
E-T	-12.1493	-9.4543	-66.4534	-88.0571	46	3	0	2792	3	16	20
E-U	-6.2266	3.7134	-163.609	-166.1223	67	14	0	6461	0	21	20
F-U	-11.0827	-9.6427	-68.2967	-89.0221	45	3	0	2650	2	16	17

Interface residues

• A-B: ALA123A, ALA124A, ALA173A, ALA173B, ALA191B, ALA208B, ALA209B, ALA215A, ALA235B, ARG200B, ARG203B, ARG207B, ASN119A, ASN150A, ASN210A, ASN210B, CYS178A, CYS218A, GLN121A, GLN166B, GLN174A, GLN220A, GLN221A, GLN221B, GLN232B, GLU230B, GLY144A, GLY167B, GLY219A, GLY226A, GLY226B, GLY227B, GLY250A, GLY252A, GLY257A, HIS125A, HIS212A, HIS212B, HIS224A, HIS224B, HIS249A, ILE122A, ILE127A, ILE171A, ILE171B, ILE190B, ILE204B, ILE223A, ILE223B, LEU168B, LEU193B, LEU195B, LEU205B, LEU206B, LEU225A, LEU225B, LEU231B, LEU258A, LEU259A, LEU259B, LEU261A, LEU261B, LYS143A, LYS216A, LYS260A, LYS260B, MET148A, PHE177A, PHE189B, PHE201B, PHE229B, PHE253A, PHE256A, PRO120A, PRO188B, PRO217A, SER149A, SER179A, SER192B, SER197B, SER213A, SER213B, SER214A, SER214B, SER222A, SER222B, SER248A, SER255A, THR147A, THR176A, THR211A, THR211B, THR251A, THR254A, TYR145A, TYR146A, TYR169B, TYR170A, TYR170B, TYR172A, TYR172B, VAL126A, VAL175A, VAL228B
• A-C: ALA123C, ALA124C, ALA173A, ALA173C, ALA191A, ALA208A, ALA209A, ALA215C, ALA235A, ARG200A, ARG203A, ARG207A, ASN119C, ASN150C, ASN210A, ASN210C, CYS178C, CYS218C, GLN121C, GLN166A, GLN174C, GLN220C, GLN221A, GLN221C, GLN232A, GLU230A, GLY144C, GLY167A, GLY219C, GLY226A, GLY226C, GLY227A, GLY227C, GLY250C, GLY252C, GLY257C, HIS125C, HIS212A, HIS212C, HIS224A, HIS224C, HIS249C, ILE122C, ILE127C, ILE171A, ILE171C, ILE190A, ILE204A, ILE223A, ILE223C, LEU168A, LEU193A, LEU195A, LEU205A, LEU206A, LEU225A, LEU225C, LEU231A, LEU258C, LEU259A, LEU259C, LEU261A, LEU261C, LYS143C, LYS216C, LYS260A, LYS260C, MET148C, PHE177A, PHE177C, PHE189A, PHE201A, PHE229A, PHE253C, PHE256C, PRO120C, PRO188A, PRO217C, SER149C, SER179C, SER192A, SER197A, SER213A, SER213C, SER214A, SER214C, SER222A, SER222C, SER248C, SER255C, THR147C, THR176C, THR211A, THR211C, THR251C, THR254C, TYR145C, TYR146C, TYR169A, TYR170A, TYR170C, TYR172A, TYR172C, VAL126C, VAL153C, VAL175C, VAL228A
• A-S: ARG200A, ARG203A, ARG207A, ARG73S, ASN72S, ASP50S, ASP69S, CYS77S, GLN166A, GLN232A, GLN79S, GLU117S, GLU202A, GLU230A, GLU66S, GLU74S, GLY199A, HIS76S, HIS78S, ILE190A, ILE204A, ILE33S, LEU168A, LEU195A, LEU231A, LEU40S, LEU47S, LEU68S, LEU87S, LYS46S, LYS81S, PHE201A, PHE229A, PHE67S, PRO188A, PRO198A, SER118S, SER197A, THR112S, THR70S, THR75S, TRP71S, TYR31S, TYR82S
• B-C: ALA123B, ALA124B, ALA173B, ALA173C, ALA191C, ALA208C, ALA209C, ALA215B, ALA235C, ARG200C, ARG203C, ARG207C, ASN119B, ASN150B, ASN210B, ASN210C, CYS178B, CYS218B, GLN121B, GLN166C, GLN174B, GLN220B, GLN221B, GLN221C, GLN232C, GLU230C, GLY144B, GLY167C, GLY219B, GLY226B, GLY226C, GLY227C, GLY250B, GLY252B, GLY257B, HIS125B, HIS212B, HIS212C, HIS224B, HIS224C, HIS249B, ILE122B, ILE127B, ILE171B, ILE171C, ILE190C, ILE204C, ILE223B, ILE223C, LEU168C, LEU193C, LEU195C, LEU205C, LEU206C, LEU225B, LEU225C, LEU231C, LEU258B, LEU259B, LEU259C, LEU261B, LEU261C, LYS143B, LYS216B, LYS260B, LYS260C, MET148B, PHE177B, PHE177C, PHE189C, PHE201C, PHE229C, PHE253B, PHE256B, PRO120B, PRO188C, PRO217B, SER149B, SER179B, SER192C, SER197C, SER213B, SER213C, SER214B, SER222B, SER222C, SER248B, SER255B, THR147B, THR176B, THR211B, THR211C, THR251B, THR254B, TYR145B, TYR146B, TYR169C, TYR170B, TYR170C, TYR172B, TYR172C, VAL126B, VAL175B, VAL228C, VAL237C
• B-D: ALA130D, ALA141B, ALA141D, ASN119B, ASN150B, ASN151B, ASN157B, ASN157D, GLN139D, GLU129B, GLU129D, GLU142B, GLU156B, GLY158B, GLY158D, LEU152B, LEU155B, LEU155D, LYS133D, LYS143B, LYS143D, LYS159D, LYS164B, MET148B, SER131D, SER132D, SER149B, THR134D, THR135D, THR154B, THR162B, TRP140B, TRP140D, TYR146B, VAL153B
• B-R: ALA130B, ALA141B, ASN86R, ASP100R, ASP243B, ASP84R, CYS119R, CYS178B, CYS218B, CYS62R, CYS77R, CYS83R, GLN220B, GLN246B, GLN79R, GLU117R, GLU129B, GLU142B, GLU64R, GLU66R, GLU74R, GLY144B, GLY219B, GLY250B, GLY252B, GLY63R, GLY88R, HIS110R, HIS125B, HIS249B, HIS76R, HIS78R, HIS80R, ILE127B, LEU121R, LEU87R, LEU89R, LYS143B, LYS216B, LYS46R, LYS81R, MET148B, PHE177B, PHE253B, PHE67R, PRO217B, PRO244B, PRO85R, SER118R, SER128B, SER131B, SER179B, SER245B, SER248B, SER65R, THR112R, THR147B, THR176B, THR251B, THR254B, THR75R, TRP109R, TYR145B, TYR146B, TYR82R, VAL120R, VAL247B
• B-T: ALA235B, ARG165B, ARG200B, ARG90T, ASN151B, ASN157B, ASN86T, ASP84T, CYS105T, CYS83T, GLN139B, GLN160B, GLN166B, GLN232B, GLN92T, GLN93T, GLU106T, GLU107T, GLU156B, GLU202B, GLU64T, GLU98T, GLY108T, GLY158B, GLY199B, GLY234B, GLY63T, GLY88T, GLY95T, HIS80T, LEU121T, LEU152B, LEU161B, LEU195B, LEU89T, LYS133B, LYS159B, LYS164B, LYS196B, LYS94T, PHE201B, PHE238B, PRO198B, PRO233B, PRO85T, SER136B, SER197B, SER236B, SER65T, SER97T, THR101T, THR134B, THR135B, THR162B, THR96T, THR99T, TRP109T, TYR82T, VAL137B, VAL163B, VAL237B, VAL91T
• C-R: ARG200C, ARG203C, ARG207C, ARG73R, ASN72R, ASP50R, ASP69R, CYS77R, GLN166C, GLN232C, GLN79R, GLU117R, GLU202C, GLU230C, GLU66R, GLU74R, GLY199C, HIS76R, HIS78R, ILE190C, ILE204C, LEU168C, LEU195C, LEU205C, LEU231C, LEU32R, LEU40R, LEU47R, LEU68R, LEU87R, LYS196C, LYS46R, LYS81R, PHE201C, PHE229C, PHE67R, PRO188C, PRO198C, PRO233C, SER118R, SER197C, THR112R, THR242C, THR70R, THR75R, TRP71R, TYR31R, TYR82R
• C-S: ALA130C, ALA141C, ALA215C, ASN86S, ASP100S, ASP243C, ASP84S, CYS119S, CYS178C, CYS218C, CYS62S, CYS77S, CYS83S, GLN220C, GLN246C, GLN79S, GLU117S, GLU129C, GLU142C, GLU64S, GLU66S, GLU74S, GLY144C, GLY219C, GLY250C, GLY252C, GLY63S, GLY88S, HIS110S, HIS249C, HIS76S, HIS78S, HIS80S, ILE127C, LEU121S, LEU60S, LEU87S, LEU89S, LYS143C, LYS216C, LYS46S, LYS81S, MET148C, PHE177C, PHE253C, PHE67S, PRO217C, PRO244C, PRO85S, SER118S, SER128C, SER131C, SER179C, SER245C, SER248C, SER65S, THR112S, THR147C, THR176C, THR251C, THR254C, THR75S, TRP109S, TYR145C, TYR146C, TYR82S, VAL120S, VAL247C
• D-E: ALA123D, ALA124D, ALA173D, ALA173E, ALA191E, ALA208E, ALA209E, ALA215D, ALA235E, ARG200E, ARG203E, ARG207E, ASN119D, ASN150D, ASN210D, ASN210E, CYS178D, CYS218D, GLN121D, GLN166E, GLN174D, GLN220D, GLN221D, GLN221E, GLN232E, GLU202E, GLU230E, GLY144D, GLY167E, GLY219D, GLY226D, GLY226E, GLY227E, GLY250D, GLY252D, GLY257D, HIS125D, HIS212D, HIS212E, HIS224D, HIS224E, HIS249D, ILE122D, ILE127D, ILE171D, ILE171E, ILE190E, ILE204E, ILE223D, ILE223E, LEU168E, LEU193E, LEU195E, LEU205E, LEU206E, LEU225D, LEU225E, LEU231E, LEU258D, LEU259D, LEU259E, LEU261D, LEU261E, LYS143D, LYS216D, LYS260D, LYS260E, MET148D, PHE177D, PHE189E, PHE201E, PHE229E, PHE253D, PHE256D, PRO120D, PRO188E, PRO217D, SER149D, SER179D, SER192E, SER197E, SER213D, SER213E, SER214D, SER222D, SER222E, SER248D, SER255D, THR147D, THR176D, THR211D, THR211E, THR251D, THR254D, TYR145D, TYR146D, TYR169E, TYR170D, TYR170E, TYR172D, TYR172E, VAL126D, VAL153D, VAL175D, VAL228E
• D-F: ALA123F, ALA124F, ALA173D, ALA173F, ALA191D, ALA208D, ALA209D, ALA215F, ALA235D, ARG200D, ARG203D, ARG207D, ASN119F, ASN150F, ASN210D, ASN210F, CYS178F, CYS194D, CYS218F, GLN121F, GLN166D, GLN174F, GLN220F, GLN221D, GLN221F, GLN232D, GLU202D, GLU230D, GLY144F, GLY167D, GLY219F, GLY226D, GLY226F, GLY227D, GLY227F, GLY250F, GLY252F, GLY257F, HIS125F, HIS212D, HIS224D, HIS224F, HIS249F, ILE122F, ILE127F, ILE171D, ILE171F, ILE190D, ILE204D, ILE223D, ILE223F, LEU168D, LEU193D, LEU195D, LEU205D, LEU206D, LEU225D, LEU225F, LEU231D, LEU258F, LEU259D, LEU259F, LEU261D, LEU261F, LYS143F, LYS216F, LYS260D, LYS260F, MET148F, PHE177D, PHE177F, PHE189D, PHE201D, PHE229D, PHE253F, PHE256F, PRO120F, PRO188D, PRO217F, SER149F, SER179F, SER192D, SER197D, SER213D, SER213F, SER214D, SER214F, SER222D, SER222F, SER248F, SER255F, THR147F, THR176F, THR211D, THR251F, THR254F, TYR145F, TYR146F, TYR169D, TYR170D, TYR170F, TYR172D, TYR172F, VAL126F, VAL175F, VAL228D, VAL237D
• D-R: ARG200D, ASN240D, GLU202D, GLU56R, GLU58R, GLU64R, GLU66R, GLY199D, GLY63R, LEU60R, LYS133D, LYS196D, LYS46R, PHE201D, PHE54R, PRO198D, PRO61R, SER136D, THR134D, THR135D, THR52R, THR55R, VAL137D, VAL48R
• D-T: ALA130D, ALA141D, ALA215D, ASN86T, ASP100T, ASP243D, ASP84T, CYS119T, CYS178D, CYS218D, CYS62T, CYS77T, CYS83T, GLN220D, GLN221D, GLN246D, GLN79T, GLU117T, GLU129D, GLU142D, GLU64T, GLU66T, GLU74T, GLY144D, GLY219D, GLY250D, GLY252D, GLY63T, GLY88T, HIS110T, HIS125D, HIS249D, HIS76T, HIS78T, HIS80T, ILE127D, LEU121T, LEU60T, LEU87T, LEU89T, LYS143D, LYS216D, LYS46T, LYS81T, MET148D, PHE177D, PHE253D, PHE67T, PRO217D, PRO244D, PRO85T, SER118T, SER128D, SER131D, SER179D, SER245D, SER248D, SER65T, THR112T, THR147D, THR176D, THR251D, THR254D, THR75T, TRP109T, TYR145D, TYR146D, TYR82T, VAL120T, VAL247D
• E-F: ALA123E, ALA124E, ALA173E, ALA173F, ALA191F, ALA208F, ALA209F, ALA215E, ALA235F, ARG200F, ARG203F, ARG207F, ASN119E, ASN150E, ASN210E, ASN210F, CYS178E, CYS218E, GLN121E, GLN166F, GLN174E, GLN220E, GLN221E, GLN221F, GLN232F, GLU202F, GLU230F, GLY144E, GLY167F, GLY219E, GLY226E, GLY226F, GLY227F, GLY250E, GLY252E, GLY257E, HIS125E, HIS212F, HIS224E, HIS224F, HIS249E, ILE122E, ILE127E, ILE171E, ILE171F, ILE190F, ILE204F, ILE223E, ILE223F, LEU168F, LEU193F, LEU195F, LEU205F, LEU206F, LEU225E, LEU225F, LEU231F, LEU258E, LEU259E, LEU259F, LEU261E, LEU261F, LYS143E, LYS216E, LYS260E, LYS260F, MET148E, PHE177E, PHE189F, PHE201F, PHE229F, PHE253E, PHE256E, PRO120E, PRO188F, PRO217E, SER149E, SER179E, SER192F, SER197F, SER213E, SER213F, SER214E, SER214F, SER222E, SER222F, SER248E, SER255E, THR147E, THR176E, THR211E, THR211F, THR251E, THR254E, TYR145E, TYR146E, TYR169F, TYR170E, TYR170F, TYR172E, TYR172F, VAL126E, VAL153E, VAL175E, VAL228F
• E-T: ALA209E, ARG200E, ARG203E, ARG207E, ARG73T, ASN72T, ASP50T, ASP69T, CYS77T, GLN166E, GLN232E, GLN79T, GLU117T, GLU202E, GLU230E, GLU66T, GLU74T, GLY199E, HIS76T, HIS78T, ILE190E, ILE204E, LEU168E, LEU195E, LEU231E, LEU32T, LEU40T, LEU47T, LEU68T, LEU87T, LYS81T, PHE201E, PHE229E, PHE67T, PRO188E, PRO198E, PRO233E, SER118T, SER197E, THR112T, THR242E, THR70T, THR75T, TRP71T, TYR31T, TYR82T
• E-U: ALA130E, ALA141E, ALA215E, ASN86U, ASP100U, ASP243E, ASP84U, CYS119U, CYS178E, CYS218E, CYS62U, CYS77U, CYS83U, GLN220E, GLN246E, GLN79U, GLU117U, GLU129E, GLU142E, GLU64U, GLU66U, GLU74U, GLY144E, GLY219E, GLY250E, GLY252E, GLY63U, GLY88U, HIS110U, HIS249E, HIS76U, HIS78U, HIS80U, ILE127E, LEU121U, LEU87U, LEU89U, LYS143E, LYS216E, LYS46U, LYS81U, MET148E, PHE177E, PHE253E, PHE67U, PRO217E, PRO244E, PRO85U, SER118U, SER128E, SER131E, SER179E, SER245E, SER248E, SER65U, THR112U, THR147E, THR176E, THR251E, THR254E, THR75U, TRP109U, TYR145E, TYR146E, TYR82U, VAL120U, VAL247E
• F-U: ARG200F, ARG203F, ARG207F, ARG73U, ASN72U, ASP50U, ASP69U, CYS77U, GLN166F, GLN232F, GLN79U, GLU117U, GLU202F, GLU230F, GLU66U, GLU74U, GLY199F, HIS76U, HIS78U, ILE190F, ILE204F, LEU168F, LEU195F, LEU231F, LEU40U, LEU47U, LEU68U, LEU87U, LYS46U, LYS81U, PHE201F, PHE229F, PHE67U, PRO188F, PRO198F, SER118U, SER197F, THR112U, THR211F, THR242F, THR70U, THR75U, TRP71U, TYR31U, TYR82U