3RTR

a ring e3-substrate complex poised for ubiquitin-like protein transfer: structural insights into cullin-ring ligases

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 144
  • Norm. En. per Res.: -6.4865
• 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	-273.4923	-108.5441	-552.026	-934.0624	144	60	18	21980	6	43	31
A-C	0.0	-24.6066	-63.0249	-87.6315	61	4	2	2471	0	19	23
A-D	-49.8702	-81.522	-170.425	-301.8173	86	14	3	7355	6	25	27
A-F	0.0	-16.6383	-8.1761	-24.8145	14	1	0	479	1	10	1
B-C	-36.0984	-81.0539	-170.849	-288.0013	90	11	4	7504	3	24	26
B-D	-21.4365	-0.5148	-275.733	-297.6843	83	8	12	11659	0	17	17
C-D	-196.328	-122.8254	-413.066	-732.2193	116	45	16	17512	7	33	22
C-E	0.0	-5.1131	-1.3938	-6.5069	14	0	0	190	0	13	12
C-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	5	4
D-E	0.0	0.0	-0.1228	-0.1228	6	0	0	31	0	4	5
D-F	-6.8667	26.1421	-88.4642	-69.1888	61	3	3	3913	0	17	31
D-G	-8.0515	-13.9868	-4.3504	-26.3887	13	1	0	270	1	8	1
E-F	-248.6185	-136.8333	-495.864	-881.3158	139	59	20	21212	7	38	28
E-G	0.0	22.4105	-18.082	4.3285	38	4	0	729	0	9	17
E-H	-42.6893	-22.7855	-184.004	-249.4788	87	11	5	7721	2	26	27
F-G	-42.8223	-44.6057	-161.527	-248.9551	88	11	4	7529	4	27	26
F-H	-20.6696	-1.7528	-281.415	-303.8374	88	20	10	11834	0	16	18
G-H	-247.2643	-57.0931	-597.411	-901.7684	147	48	18	22989	3	45	35

Interface residues

• A-B: ALA29B, ALA31B, ALA34B, ALA603A, ALA609A, ARG21B, ARG561A, ARG577A, ARG598A, ARG681A, ARG91B, ARG99B, ASN28B, ASN518A, ASN593A, ASN615A, ASN702A, ASN76B, ASN98B, ASP36B, ASP510A, ASP532A, ASP534A, ASP618A, ASP706A, ASP754A, ASP97B, CYS594A, CYS752A, CYS94B, GLN477A, GLN538A, GLN548A, GLN549A, GLN564A, GLN584A, GLN602A, GLN613A, GLN712A, GLN92B, GLU100B, GLU23B, GLU558A, GLU560A, GLU589A, GLU617A, GLU704A, GLU705A, GLU758A, GLU760A, GLY543A, GLY576A, GLY588A, HIS476A, HIS574A, ILE37B, ILE511A, ILE537A, ILE610A, ILE684A, ILE755A, ILE757A, LEU32B, LEU517A, LEU531A, LEU533A, LEU540A, LEU555A, LEU559A, LEU579A, LEU582A, LEU585A, LEU590A, LEU601A, LEU611A, LEU612A, LEU643A, LEU648A, LEU649A, LEU671A, LEU673A, LEU709A, LEU756A, LEU88B, LYS25B, LYS26B, LYS522A, LYS578A, LYS587A, LYS701A, LYS708A, LYS750A, LYS751A, LYS759A, MET608A, PHE22B, PHE535A, PHE547A, PHE553A, PHE566A, PHE595A, PRO546A, PRO556A, PRO95B, SER514A, SER536A, SER541A, SER542A, SER544A, SER550A, SER557A, SER562A, SER575A, SER586A, SER604A, THR580A, THR592A, THR600A, THR605A, THR616A, THR90B, TRP101B, TRP27B, TRP33B, TRP35B, TRP545A, TRP581A, TRP87B, TYR563A, TYR570A, TYR583A, TYR599A, TYR614A, TYR672A, TYR675A, TYR761A, VAL24B, VAL30B, VAL38B, VAL475A, VAL513A, VAL539A, VAL591A, VAL93B
• A-C: ALA554A, ALA554C, ALA568A, ALA568C, ALA571A, ALA571C, ARG561A, ARG561C, ARG565A, ARG565C, ARG573A, ARG573C, ASN527C, ASP627A, ASP627C, ASP766A, ASP766C, GLN564A, GLN564C, GLN613A, GLN630A, GLN630C, GLU529A, GLU529C, GLU558A, GLU560A, GLU560C, GLU758A, GLU758C, GLU760A, GLU760C, HIS524C, LEU555A, LEU555C, LEU559A, LEU559C, PHE553A, PHE566A, PHE569A, PHE569C, PRO530C, PRO556A, SER528C, SER557A, SER557C, SER562A, SER562C, SER572A, SER572C, SER575A, SER575C, SER628A, THR552A, THR552C, THR567A, THR567C, THR616A, THR629A, TYR563A, TYR563C, TYR583A
• A-D: ALA43D, ALA58D, ALA61D, ALA713A, ALA714A, ALA776A, ALA78D, ARG46D, ARG506A, ARG577A, ARG717A, ARG741A, ARG86D, ARG91D, ASN41D, ASN47D, ASN59D, ASN76D, ASP40D, ASP51D, ASP706A, CYS42D, CYS45D, CYS53D, CYS56D, CYS68D, CYS752A, CYS83D, GLN104D, GLN549A, GLN57D, GLN60D, GLN712A, GLN737A, GLU499A, GLU55D, GLU66D, GLU67D, GLU758A, GLU760A, GLY543A, GLY576A, HIS48D, HIS80D, HIS82D, ILE37D, ILE44D, ILE49D, ILE54D, ILE715A, ILE718A, ILE755A, LEU52D, LEU540A, LEU709A, LEU710A, LEU738A, LEU756A, LEU762A, LEU775A, LYS105D, LYS503A, LYS578A, LYS720A, LYS759A, LYS89D, MET50D, MET719A, PHE498A, SER502A, SER541A, SER542A, SER544A, SER575A, SER740A, THR580A, THR90D, TRP545A, TRP72D, TRP87D, TYR761A, TYR774A, VAL38D, VAL39D, VAL70D, VAL716A
• A-F: ALA776A, ARG717A, CYS68F, GLU66F, GLU67F, HIS82F, LYS720A, LYS723A, MET721A, PHE81F, THR69F, TYR106F, TYR774A, VAL70F
• B-C: ALA43B, ALA58B, ALA61B, ALA713C, ALA714C, ALA776C, ALA78B, ARG46B, ARG506C, ARG577C, ARG717C, ARG741C, ARG86B, ARG91B, ASN41B, ASN47B, ASN59B, ASN76B, ASP40B, ASP510C, ASP51B, ASP706C, CYS42B, CYS45B, CYS53B, CYS56B, CYS752C, CYS83B, GLN104B, GLN549C, GLN57B, GLN60B, GLN712C, GLU499C, GLU55B, GLU758C, GLU760C, GLY543C, GLY576C, HIS48B, HIS574C, HIS80B, HIS82B, ILE37B, ILE44B, ILE49B, ILE54B, ILE711C, ILE715C, ILE718C, ILE755C, ILE84B, LEU52B, LEU540C, LEU709C, LEU710C, LEU756C, LEU762C, LEU775C, LYS105B, LYS503C, LYS578C, LYS708C, LYS720C, LYS759C, LYS89B, MET50B, MET719C, MET721C, SER502C, SER541C, SER542C, SER544C, SER575C, SER62B, SER65B, SER85B, THR580C, THR64B, THR90B, TRP545C, TRP72B, TRP87B, TYR500C, TYR761C, TYR774C, VAL38B, VAL39B, VAL70B, VAL716C
• B-D: ALA34B, ALA34D, ALA43B, ALA43D, ALA71D, ALA78B, ALA78D, ARG46B, ARG46D, ARG91B, ARG91D, ARG99B, ARG99D, ASN41B, ASN41D, ASN47B, ASN47D, ASN76B, ASN76D, ASN98B, ASN98D, ASP36B, ASP36D, ASP40B, ASP40D, ASP51B, ASP51D, ASP97B, ASP97D, CYS42B, CYS42D, CYS45B, CYS45D, CYS75B, CYS75D, CYS94B, CYS94D, GLN57B, GLN57D, GLN92B, GLN92D, HIS48B, HIS48D, HIS77B, HIS77D, HIS80B, ILE37B, ILE37D, ILE44B, ILE44D, ILE49B, ILE49D, ILE54B, ILE54D, LEU32B, LEU32D, LEU96B, LEU96D, LYS105B, MET50B, MET50D, PHE79B, PHE79D, PRO95B, PRO95D, THR69B, THR69D, TRP33B, TRP33D, TRP35B, TRP35D, TRP72B, TRP72D, TRP87B, TRP87D, VAL38B, VAL38D, VAL39B, VAL39D, VAL70B, VAL70D, VAL93B, VAL93D
• C-D: ALA29D, ALA31D, ALA34D, ALA603C, ARG506C, ARG577C, ARG91D, ARG99D, ASN28D, ASN518C, ASN685C, ASN702C, ASN76D, ASN98D, ASP36D, ASP510C, ASP532C, ASP534C, ASP706C, ASP754C, ASP97D, CYS752C, CYS94D, GLN477C, GLN509C, GLN538C, GLN548C, GLN549C, GLN584C, GLN712C, GLN92D, GLU100D, GLU558C, GLU560C, GLU589C, GLU704C, GLU705C, GLU758C, GLU760C, GLY543C, GLY576C, GLY588C, HIS476C, HIS574C, ILE37D, ILE537C, ILE755C, ILE757C, LEU32D, LEU517C, LEU531C, LEU533C, LEU540C, LEU555C, LEU559C, LEU579C, LEU582C, LEU585C, LEU590C, LEU612C, LEU709C, LEU756C, LEU88D, LYS105D, LYS25D, LYS26D, LYS472C, LYS522C, LYS578C, LYS587C, LYS632C, LYS701C, LYS708C, LYS751C, LYS759C, MET608C, PHE535C, PHE547C, PHE553C, PHE566C, PRO546C, PRO556C, PRO95D, SER514C, SER536C, SER541C, SER542C, SER544C, SER550C, SER557C, SER562C, SER575C, SER586C, SER604C, THR552C, THR580C, THR605C, THR90D, TRP101D, TRP27D, TRP33D, TRP35D, TRP545C, TRP581C, TRP87D, TYR563C, TYR570C, TYR583C, TYR761C, VAL24D, VAL30D, VAL38D, VAL475C, VAL513C, VAL539C, VAL93D
• C-E: ARG745C, ARG745E, ASP634C, ASP634E, GLN638C, GLY767E, LYS632C, LYS632E, LYS769C, LYS769E, MET633E, PRO665C, PRO747C, PRO747E
• C-F: ARG764C, LYS105F
• D-E: ARG764E, ASP766E, GLU100D, GLY767E, LYS751E, TYR106D
• D-F: ALA58D, ALA58F, ALA71D, ALA71F, ARG86D, ARG86F, ARG91D, ARG91F, ASN59D, ASN59F, CYS53D, CYS56D, CYS56F, CYS83D, CYS83F, GLN104D, GLN104F, GLN92D, GLN92F, GLU100D, GLU100F, GLU102D, GLU102F, GLU55D, GLU55F, GLU66D, GLU66F, GLU67D, GLU67F, HIS82D, HIS82F, ILE84D, ILE84F, LEU88D, LEU88F, LYS105D, LYS105F, LYS89D, LYS89F, PHE103D, PHE103F, PHE81D, PHE81F, SER85D, SER85F, THR69D, THR69F, THR90D, THR90F, TRP101D, TRP101F, TRP72D, TRP72F, TRP87D, TRP87F, TYR106D, TYR106F, VAL70D, VAL70F, VAL74D, VAL74F
• D-G: ALA776G, GLU66D, GLU67D, HIS82D, LEU775G, LYS720G, LYS723G, MET721G, PHE81D, THR69D, TYR106D, TYR774G, VAL716G
• E-F: ALA29F, ALA31F, ALA34F, ALA603E, ALA609E, ARG21F, ARG506E, ARG561E, ARG565E, ARG577E, ARG598E, ARG681E, ARG91F, ARG99F, ASN28F, ASN518E, ASN593E, ASN615E, ASN702E, ASN98F, ASP36F, ASP510E, ASP532E, ASP534E, ASP618E, ASP754E, ASP97F, CYS594E, CYS752E, CYS94F, GLN477E, GLN538E, GLN548E, GLN549E, GLN564E, GLN584E, GLN602E, GLN613E, GLN712E, GLN92F, GLU100F, GLU23F, GLU558E, GLU560E, GLU589E, GLU704E, GLU705E, GLU758E, GLU760E, GLY543E, GLY576E, GLY588E, HIS476E, HIS574E, ILE37F, ILE537E, ILE684E, ILE755E, ILE757E, LEU32F, LEU517E, LEU531E, LEU533E, LEU540E, LEU555E, LEU559E, LEU579E, LEU582E, LEU585E, LEU590E, LEU601E, LEU611E, LEU612E, LEU643E, LEU648E, LEU649E, LEU671E, LEU673E, LEU709E, LEU756E, LEU88F, LYS25F, LYS26F, LYS522E, LYS578E, LYS587E, LYS701E, LYS708E, LYS751E, LYS759E, MET608E, PHE22F, PHE535E, PHE547E, PHE553E, PHE566E, PHE595E, PHE606E, PRO546E, PRO556E, PRO95F, SER514E, SER536E, SER541E, SER542E, SER544E, SER550E, SER557E, SER562E, SER575E, SER586E, SER604E, THR580E, THR592E, THR600E, THR605E, THR616E, THR90F, TRP27F, TRP33F, TRP35F, TRP545E, TRP581E, TRP87F, TYR563E, TYR570E, TYR583E, TYR599E, TYR614E, TYR672E, TYR675E, TYR761E, VAL24F, VAL30F, VAL475E, VAL513E, VAL539E, VAL591E, VAL93F
• E-G: ALA554G, ALA568E, ALA568G, ALA571E, ARG561E, ARG561G, ARG565E, ARG565G, ARG573E, ASP627G, ASP766E, ASP766G, GLN564E, GLN564G, GLN630E, GLN630G, GLU560E, GLU560G, GLU758E, GLU758G, GLU760E, GLU760G, HIS524E, LEU555G, PHE569E, SER528E, SER557E, SER557G, SER572E, SER572G, SER575E, SER628G, THR552G, THR567E, THR616G, TYR563E, TYR563G, TYR620G
• E-H: ALA43H, ALA58H, ALA61H, ALA713E, ALA714E, ALA776E, ARG46H, ARG506E, ARG577E, ARG717E, ARG741E, ARG86H, ARG91H, ASN41H, ASN47H, ASN59H, ASN76H, ASP40H, ASP51H, ASP706E, CYS42H, CYS45H, CYS53H, CYS56H, CYS68H, CYS752E, CYS83H, GLN104H, GLN509E, GLN57H, GLN60H, GLN712E, GLN737E, GLU499E, GLU55H, GLU66H, GLU758E, GLU760E, GLY497E, GLY543E, GLY576E, HIS48H, HIS80H, HIS82H, ILE37H, ILE44H, ILE49H, ILE54H, ILE715E, ILE718E, ILE755E, ILE84H, LEU52H, LEU540E, LEU709E, LEU710E, LEU738E, LEU756E, LEU762E, LEU775E, LYS503E, LYS578E, LYS720E, LYS759E, LYS89H, MET50H, MET719E, MET721E, PHE498E, SER502E, SER541E, SER542E, SER544E, SER575E, THR501E, THR580E, THR90H, TRP545E, TRP72H, TRP87H, TYR500E, TYR570E, TYR761E, TYR774E, VAL38H, VAL39H, VAL716E
• F-G: ALA43F, ALA58F, ALA713G, ALA714G, ALA776G, ALA78F, ARG46F, ARG506G, ARG577G, ARG717G, ARG741G, ARG86F, ARG91F, ASN47F, ASN59F, ASN76F, ASP36F, ASP40F, ASP510G, ASP51F, ASP706G, CYS42F, CYS45F, CYS53F, CYS56F, CYS68F, CYS752G, CYS83F, GLN104F, GLN549G, GLN57F, GLN60F, GLN712G, GLN737G, GLU499G, GLU55F, GLU66F, GLU758G, GLU760G, GLY497G, GLY543G, GLY576G, HIS48F, HIS82F, ILE37F, ILE44F, ILE49F, ILE54F, ILE711G, ILE715G, ILE718G, ILE755G, ILE757G, LEU52F, LEU540G, LEU709G, LEU710G, LEU756G, LEU762G, LEU775G, LYS105F, LYS503G, LYS578G, LYS708G, LYS720G, LYS759G, LYS89F, MET50F, MET719G, MET721G, PHE498G, SER502G, SER541G, SER542G, SER544G, SER575G, THR580G, THR90F, TRP545G, TRP72F, TRP87F, TYR106F, TYR500G, TYR761G, TYR774G, VAL38F, VAL39F, VAL716G
• F-H: ALA34F, ALA34H, ALA43F, ALA43H, ALA71F, ALA71H, ALA78F, ALA78H, ARG46F, ARG46H, ARG91F, ARG91H, ARG99F, ARG99H, ASN41F, ASN41H, ASN47F, ASN47H, ASN76F, ASN76H, ASN98F, ASN98H, ASP36F, ASP36H, ASP40F, ASP40H, ASP51F, ASP51H, ASP97F, ASP97H, CYS42F, CYS42H, CYS45F, CYS45H, CYS75F, CYS75H, CYS94F, CYS94H, GLN57F, GLN92F, GLN92H, GLU100F, GLY73F, GLY73H, HIS48F, HIS48H, HIS77F, HIS77H, HIS80F, HIS80H, ILE37F, ILE37H, ILE44F, ILE44H, ILE49F, ILE49H, ILE54F, ILE54H, LEU32F, LEU32H, LEU96F, LEU96H, MET50F, MET50H, PHE79F, PHE79H, PRO95F, PRO95H, THR69F, THR69H, TRP101H, TRP33F, TRP33H, TRP35F, TRP35H, TRP72F, TRP72H, TRP87F, TRP87H, TYR106F, VAL38F, VAL38H, VAL39F, VAL39H, VAL70F, VAL70H, VAL93F, VAL93H
• G-H: ALA29H, ALA31H, ALA34H, ALA603G, ALA609G, ALA619G, ALA713G, ARG21H, ARG561G, ARG577G, ARG598G, ARG681G, ARG91H, ARG99H, ASN28H, ASN518G, ASN593G, ASN615G, ASN76H, ASN98H, ASP36H, ASP510G, ASP532G, ASP534G, ASP618G, ASP754G, ASP97H, CYS594G, CYS752G, CYS94H, GLN477G, GLN509G, GLN538G, GLN548G, GLN549G, GLN564G, GLN584G, GLN602G, GLN613G, GLN712G, GLN92H, GLU100H, GLU102H, GLU23H, GLU558G, GLU560G, GLU589G, GLU617G, GLU705G, GLU758G, GLU760G, GLY543G, GLY576G, GLY588G, HIS476G, HIS574G, ILE37H, ILE511G, ILE537G, ILE610G, ILE684G, ILE755G, ILE757G, LEU32H, LEU517G, LEU531G, LEU533G, LEU540G, LEU555G, LEU559G, LEU579G, LEU582G, LEU585G, LEU590G, LEU601G, LEU611G, LEU612G, LEU643G, LEU648G, LEU649G, LEU671G, LEU673G, LEU709G, LEU710G, LEU756G, LEU88H, LYS20H, LYS25H, LYS26H, LYS522G, LYS578G, LYS587G, LYS701G, LYS708G, LYS751G, LYS759G, MET608G, PHE22H, PHE535G, PHE547G, PHE553G, PHE566G, PHE595G, PRO546G, PRO556G, PRO95H, SER514G, SER536G, SER541G, SER542G, SER544G, SER550G, SER557G, SER562G, SER575G, SER586G, SER604G, THR567G, THR580G, THR592G, THR600G, THR605G, THR616G, THR90H, TRP101H, TRP27H, TRP33H, TRP35H, TRP545G, TRP581G, TRP87H, TYR563G, TYR570G, TYR583G, TYR599G, TYR614G, TYR620G, TYR672G, TYR675G, VAL24H, VAL30H, VAL38H, VAL475G, VAL513G, VAL539G, VAL591G, VAL93H