1X27

crystal structure of lck sh2-sh3 with sh2 binding site of p130cas

• Total interactions analyzed: 66
• Total true interactions: 30
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 75
  • Norm. En. per Res.: -4.8807
• Hub Node: A(7)

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-C	-2.8776	0.0	-16.2955	-19.1731	26	0	0	697	0	1	4
A-D	-3.9908	0.0	-17.359	-21.3498	22	0	0	756	0	2	4
A-E	-35.6647	-98.7884	-202.547	-337.0001	80	10	0	7639	3	18	20
A-F	-22.6506	-89.194	-235.092	-346.9366	101	19	0	8940	4	38	17
A-I	-10.452	-14.0872	-49.9826	-74.5218	29	6	1	2067	0	15	5
A-L	0.0	-6.0251	-7.2287	-13.2538	17	0	0	517	0	4	9
A-M	0.0	0.0	-15.9538	-15.9538	13	3	0	572	0	2	1
B-C	-55.2703	-97.1284	-213.652	-366.0507	75	19	0	7846	3	18	20
B-D	-29.278	-79.5666	-245.209	-354.0536	101	15	0	8654	5	39	16
B-E	0.0	0.0	-17.1208	-17.1208	26	5	0	921	0	2	7
B-F	-4.589	0.0	-26.9048	-31.4938	27	4	0	1079	0	3	6
B-J	-29.0027	-3.744	-72.8277	-105.5744	30	10	0	2851	0	16	13
B-K	0.0	0.0	-9.942	-9.942	10	0	0	445	0	2	1
B-N	0.0	-0.4115	-6.8355	-7.247	17	0	0	578	0	5	10
C-D	0.0	0.0	-18.2212	-18.2212	19	0	0	668	0	3	7
C-E	-37.1477	-59.2428	-235.986	-332.3764	101	20	0	8503	5	38	19
C-I	0.0	0.0	-0.7613	-0.7613	7	0	0	78	0	1	3
C-J	0.0	0.0	-10.7741	-10.7741	12	0	0	373	0	3	3
C-K	-16.8635	-5.4461	-60.1368	-82.4463	27	7	1	2271	0	10	7
D-F	-24.9853	-83.6735	-186.116	-294.7747	76	8	0	7229	5	17	21
D-K	0.0	-3.6396	-4.8329	-8.4725	15	0	0	481	0	5	8
D-L	-8.9212	-12.9812	-88.1814	-110.0839	35	5	4	2991	2	17	11
D-N	0.0	0.0	-8.7253	-8.7253	10	0	0	317	0	3	1
E-F	0.0	0.0	-19.7018	-19.7018	21	1	0	709	0	2	5
E-I	0.0	0.0	-12.0081	-12.0081	10	0	0	402	0	2	1
E-J	0.0	0.6155	-6.5445	-5.929	15	0	0	416	0	5	8
E-M	-18.9173	-8.2288	-89.3561	-116.5022	29	9	1	3126	1	9	9
F-L	0.0	1.4379	-4.455	-3.0171	9	0	0	291	0	4	1
F-M	0.0	2.8675	-1.383	1.4845	10	0	0	187	0	4	6
F-N	-18.6137	-7.9417	-89.1077	-115.6631	33	12	3	3136	0	14	9

Interface residues

• A-C: ALA212C, ARG196A, ARG219C, ARG222C, ASN173A, ASN173C, ASN211C, ASP169A, ASP171A, ASP214A, CYS217A, GLN172A, GLN172C, GLN174A, GLN174C, GLY215A, LYS179A, PHE170A, PHE170C, PRO195A, SER221C, THR210C, THR218C, TYR181A, VAL177A, VAL178A
• A-D: ARG196D, ARG219A, ARG222A, ASN173A, ASN173D, ASP169D, ASP171A, ASP171D, ASP214D, CYS217D, GLN172A, GLN172D, GLN174A, GLN174D, GLY175A, LYS179D, PHE170D, PRO195D, SER213A, SER221A, TYR181D, VAL177D
• A-E: ALA68A, ALA68E, ARG184A, ARG184E, ARG196A, ARG196E, ASN114A, ASN114E, ASN185A, ASN185E, ASN188A, ASN188E, ASP187A, ASP187E, ASP214A, ASP79A, ASP79E, GLU73A, GLU73E, GLU83A, GLU83E, GLU86A, GLU96A, GLU96E, GLY189E, GLY190A, GLY190E, GLY85A, GLY85E, HIS70A, HIS70E, HIS76A, HIS76E, ILE111A, ILE111E, ILE193A, ILE193E, ILE197A, ILE197E, LEU186A, LEU186E, LEU69A, LEU69E, LYS182A, LYS182E, LYS84A, LYS84E, PHE113A, PHE113E, PHE115A, PHE115E, PHE191A, PHE191E, PHE199A, PHE199E, PHE82A, PHE82E, PRO112A, PRO112E, PRO195A, PRO195E, PRO200E, PRO74A, PRO74E, SER194A, SER194E, SER71A, SER71E, SER75A, SER75E, THR159A, THR159E, THR198A, THR198E, TRP97A, TRP97E, TYR192A, TYR192E, TYR72A, TYR72E
• A-F: ALA143A, ALA143F, ALA212A, ALA212F, ARG168A, ARG168F, ARG207A, ARG207F, ARG219A, ARG219F, ARG222A, ARG222F, ASN146A, ASN146F, ASN211A, ASN211F, ASP77A, ASP77F, ASP79A, ASP79F, CYS224A, CYS224F, GLN225A, GLN225F, GLN93A, GLN93F, GLU108A, GLU108F, GLU125A, GLU125F, GLU92A, GLU92F, GLU96A, GLU96F, GLY109A, GLY109F, GLY145A, GLY145F, GLY149A, GLY149F, GLY78A, GLY78F, GLY95A, GLY95F, HIS148A, HIS148F, HIS76A, HIS76F, ILE111A, ILE111F, LEU142A, LEU142F, LEU220A, LEU220F, LEU80A, LEU80F, LEU91A, LEU91F, LYS99A, LYS99F, PHE110A, PHE110F, PHE113A, PHE113F, PHE151A, PHE151F, PRO112A, PRO112F, PRO124F, PRO126A, PRO126F, PRO144A, PRO144F, PRO223A, PRO223F, PRO74A, PRO74F, SER150A, SER150F, SER221A, SER221F, SER75A, SER75F, SER94A, SER94F, THR147A, THR147F, THR210A, THR210F, THR226A, THR226F, TRP127A, TRP127F, TRP97A, TRP97F, TRP98A, TRP98F, TYR72A, TYR72F, VAL206A, VAL206F
• A-I: ARG134A, ARG154A, ARG184A, ARG196A, ASP169A, ASP214A, ASP761I, ASP763I, CYS217A, GLU138A, GLY215A, HIS180A, ILE193A, ILE197A, LEU165A, LEU216A, LYS179A, LYS182A, PRO195A, SER158A, SER194A, TYR181A, TYR192A, TYR209A, TYR764I, VAL167A, VAL177A, VAL178A, VAL765I
• A-L: ARG219A, ARG222A, ASP169A, ASP761L, ASP763L, CYS217A, GLN172A, GLY149A, HIS148A, HIS766L, LEU216A, PHE170A, SER221A, THR147A, THR218A, TYR764L, VAL765L
• A-M: ASP763M, ASP79A, GLU73A, GLU96A, HIS766M, HIS76A, PRO112A, PRO74A, SER75A, TRP97A, TYR72A, TYR764M, VAL765M
• B-C: ALA68B, ALA68C, ARG184B, ARG184C, ARG196B, ARG196C, ASN114B, ASN114C, ASN185B, ASN185C, ASN188B, ASN188C, ASP187B, ASP187C, ASP214C, ASP79B, ASP79C, GLU73B, GLU73C, GLU83B, GLU83C, GLU96B, GLU96C, GLY189B, GLY189C, GLY190B, GLY190C, GLY81C, GLY85C, HIS70B, HIS70C, HIS76B, HIS76C, ILE111B, ILE111C, ILE193B, ILE193C, ILE197B, ILE197C, LEU186B, LEU186C, LEU69B, LEU69C, LYS182B, LYS84B, LYS84C, PHE113B, PHE113C, PHE115B, PHE115C, PHE191B, PHE191C, PHE82B, PHE82C, PRO112B, PRO112C, PRO195B, PRO195C, PRO74B, PRO74C, SER194B, SER194C, SER71B, SER71C, SER75B, SER75C, THR159B, THR198B, THR198C, TRP97B, TRP97C, TYR192B, TYR192C, TYR72B, TYR72C
• B-D: ALA143B, ALA143D, ALA212B, ALA212D, ARG168B, ARG168D, ARG207B, ARG207D, ARG219B, ARG219D, ARG222B, ARG222D, ASN146B, ASN146D, ASN211B, ASN211D, ASP77B, ASP77D, ASP79B, ASP79D, CYS224B, CYS224D, GLN225B, GLN225D, GLN93B, GLN93D, GLU108B, GLU108D, GLU125B, GLU125D, GLU176B, GLU176D, GLU92B, GLU92D, GLU96B, GLU96D, GLY109B, GLY109D, GLY145B, GLY145D, GLY149B, GLY149D, GLY78B, GLY78D, GLY95B, GLY95D, HIS148B, HIS148D, HIS76B, HIS76D, ILE111B, ILE111D, LEU142B, LEU142D, LEU220B, LEU220D, LEU80B, LEU80D, LEU91B, LEU91D, LYS99B, LYS99D, PHE110B, PHE110D, PHE151B, PHE151D, PHE170B, PRO112B, PRO112D, PRO124D, PRO126B, PRO126D, PRO144B, PRO144D, PRO223B, PRO223D, PRO74B, SER150B, SER150D, SER221B, SER221D, SER75B, SER75D, SER94B, SER94D, THR147B, THR147D, THR210B, THR210D, THR226B, THR226D, TRP127B, TRP127D, TRP97B, TRP97D, TRP98B, TRP98D, TYR72B, TYR72D, VAL206B, VAL206D
• B-E: ALA212E, ARG196B, ARG219E, ARG222E, ASN173B, ASN173E, ASP169B, ASP171B, ASP171E, ASP214B, CYS217B, GLN172B, GLN172E, GLN174B, GLN174E, GLY175B, GLY175E, GLY215B, LYS179B, PHE170B, PHE170E, PRO195B, SER213E, SER221E, VAL177B, VAL178B
• B-F: ARG196F, ARG219B, ARG222B, ASN173B, ASN173F, ASP169F, ASP171B, ASP171F, ASP214F, CYS217F, GLN172B, GLN172F, GLN174B, GLN174F, GLU176F, GLY175F, GLY215F, HIS148B, LYS179F, PHE170B, PHE170F, PRO195F, SER194F, SER221B, TYR181F, VAL177F, VAL178F
• B-J: ARG134B, ARG184B, ARG196B, ASP169B, ASP214B, ASP761J, ASP763J, CYS217B, GLY215B, HIS180B, HIS766J, ILE193B, ILE197B, LEU165B, LEU216B, LYS179B, LYS182B, PRO195B, SER158B, SER166B, SER194B, SER213B, THR218B, TYR181B, TYR192B, TYR209B, TYR764J, VAL167B, VAL178B, VAL765J
• B-K: ASP763K, GLU96B, HIS766K, HIS76B, PRO74B, SER75B, TRP97B, TYR72B, TYR764K, VAL765K
• B-N: ARG219B, ASP169B, ASP171B, ASP761N, ASP763N, CYS217B, GLN172B, GLY149B, HIS148B, HIS766N, PHE170B, SER213B, SER221B, THR147B, THR218B, TYR764N, VAL765N
• C-D: ARG196C, ARG219D, ARG222D, ASN173C, ASN173D, ASP171C, ASP171D, ASP214C, GLN172C, GLN172D, GLN174C, GLN174D, GLY175C, LYS179C, PHE170C, PHE170D, PRO195C, SER221D, VAL177C
• C-E: ALA143C, ALA143E, ALA212E, ARG168C, ARG168E, ARG207C, ARG207E, ARG219C, ARG219E, ARG222C, ARG222E, ASN146C, ASN146E, ASN211C, ASN211E, ASP77C, ASP77E, ASP79C, ASP79E, CYS224C, CYS224E, GLN225C, GLN225E, GLN93C, GLN93E, GLU108C, GLU108E, GLU125C, GLU125E, GLU176E, GLU92C, GLU92E, GLU96C, GLU96E, GLY109C, GLY109E, GLY145C, GLY145E, GLY149C, GLY149E, GLY78C, GLY78E, GLY95C, GLY95E, HIS148C, HIS148E, HIS76C, HIS76E, ILE111C, ILE111E, LEU142C, LEU142E, LEU220C, LEU220E, LEU80C, LEU80E, LEU91C, LEU91E, LYS99C, LYS99E, PHE110C, PHE110E, PHE113C, PHE151C, PHE151E, PRO112C, PRO112E, PRO124C, PRO124E, PRO126C, PRO126E, PRO144C, PRO144E, PRO223C, PRO223E, PRO74C, PRO74E, SER150C, SER150E, SER221C, SER221E, SER75C, SER75E, SER94C, SER94E, THR147C, THR147E, THR210C, THR210E, THR226C, THR226E, TRP127C, TRP127E, TRP97C, TRP97E, TRP98C, TRP98E, TYR72C, TYR72E, VAL206C, VAL206E
• C-I: ASP763I, GLN172C, HIS148C, PHE170C, THR218C, TYR764I, VAL765I
• C-J: ASP763J, ASP79C, GLU73C, GLU96C, HIS76C, PRO112C, PRO74C, SER75C, TRP97C, TYR72C, TYR764J, VAL765J
• C-K: ARG134C, ARG184C, ARG196C, ASP169C, ASP214C, ASP763K, CYS217C, GLY215C, HIS180C, HIS766K, ILE193C, ILE197C, LEU165C, LEU216C, LYS179C, LYS182C, PRO195C, SER194C, SER213C, TYR181C, TYR192C, TYR209C, TYR764K, VAL167C, VAL177C, VAL178C, VAL765K
• D-F: ALA68D, ALA68F, ARG184D, ARG184F, ARG196D, ARG196F, ASN114D, ASN114F, ASN185D, ASN185F, ASN188D, ASN188F, ASP187D, ASP187F, ASP79D, ASP79F, GLU73D, GLU73F, GLU83D, GLU83F, GLU96D, GLU96F, GLY189D, GLY189F, GLY190D, GLY190F, GLY85D, GLY85F, HIS70D, HIS70F, HIS76D, HIS76F, ILE111D, ILE111F, ILE193D, ILE193F, ILE197D, ILE197F, LEU186D, LEU186F, LEU69D, LEU69F, LYS182D, LYS182F, LYS84D, LYS84F, PHE113D, PHE113F, PHE115D, PHE115F, PHE191D, PHE191F, PHE199D, PHE199F, PHE82D, PHE82F, PRO112D, PRO112F, PRO195D, PRO195F, PRO74D, PRO74F, SER194D, SER194F, SER71D, SER71F, SER75D, SER75F, THR198D, THR198F, TRP97D, TRP97F, TYR192D, TYR192F, TYR72D, TYR72F
• D-K: ARG219D, ASP169D, ASP171D, ASP763K, CYS217D, GLY149D, HIS148D, HIS766K, PHE170D, SER213D, SER221D, THR147D, THR218D, TYR764K, VAL765K
• D-L: ARG134D, ARG154D, ARG184D, ARG196D, ASN185D, ASP169D, ASP214D, ASP761L, ASP763L, CYS217D, GLU157D, GLY215D, HIS180D, HIS766L, ILE183D, ILE193D, ILE197D, LEU165D, LEU216D, LYS135D, LYS179D, LYS182D, PRO195D, SER158D, SER164D, SER194D, SER213D, TYR181D, TYR192D, TYR209D, TYR764L, VAL167D, VAL177D, VAL178D, VAL765L
• D-N: GLU73D, GLU96D, HIS766N, HIS76D, PRO74D, SER75D, TRP97D, TYR72D, TYR764N, VAL765N
• E-F: ARG196E, ARG219F, ARG222F, ASN173E, ASN173F, ASP171E, ASP171F, ASP214E, CYS217E, GLN172E, GLN172F, GLN174E, GLN174F, GLY175F, GLY215E, LYS179E, PHE170E, PHE170F, PRO195E, SER213E, VAL177E
• E-I: ASP763I, ASP77E, ASP79E, HIS76E, PRO74E, SER75E, TRP97E, TYR72E, TYR764I, VAL765I
• E-J: ARG219E, ARG222E, ASP169E, ASP171E, ASP763J, CYS217E, GLN172E, HIS148E, HIS766J, PHE170E, SER213E, SER221E, THR218E, TYR764J, VAL765J
• E-M: ARG134E, ARG184E, ARG196E, ASP169E, ASP214E, ASP763M, CYS217E, GLY215E, HIS180E, HIS766M, ILE193E, ILE197E, LEU165E, LEU216E, LYS179E, LYS182E, PRO195E, SER166E, SER194E, SER213E, THR218E, TYR181E, TYR192E, TYR209E, TYR764M, VAL167E, VAL177E, VAL178E, VAL765M
• F-L: GLU73F, HIS766L, HIS76F, PRO74F, SER75F, TRP97F, TYR72F, TYR764L, VAL765L
• F-M: ARG219F, ASP763M, CYS217F, GLN172F, HIS148F, HIS766M, PHE170F, THR218F, TYR764M, VAL765M
• F-N: ARG134F, ARG154F, ARG184F, ARG196F, ASP169F, ASP214F, ASP761N, ASP763N, CYS217F, GLY215F, HIS180F, HIS208F, HIS766N, ILE183F, ILE193F, ILE197F, LEU165F, LEU216F, LYS179F, LYS182F, PRO195F, SER158F, SER194F, SER213F, THR218F, TYR181F, TYR192F, TYR209F, TYR764N, VAL167F, VAL177F, VAL178F, VAL765N