3K2M

crystal structure of monobody ha4/abl1 sh2 domain complex

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 72
  • Norm. En. per Res.: -4.5767
• Hub Node: A(2)

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	-11.1138	-9.234	-46.7624	-67.1102	26	10	0	1844	1	6	7
A-D	-38.6218	-26.7636	-196.85	-262.2353	68	5	3	6463	5	11	4
B-C	-30.5732	-34.0917	-196.692	-261.3569	68	7	2	6472	5	13	5
B-D	-15.0437	-21.8019	-48.2129	-85.0585	31	7	0	1772	1	5	6
C-D	-103.1015	0.0	-226.419	-329.5205	72	14	6	7839	0	0	0

Interface residues

• A-C: ALA198A, ARG210A, ARG99C, ASN196A, ASN97C, ASP200A, ASP72C, GLU208A, GLU43C, GLY201A, GLY45C, GLY46C, GLY70C, LYS202A, PRO69C, SER199A, SER206A, SER207A, THR100C, THR197A, THR44C, THR74C, TYR204A, TYR73C, TYR98C, VAL71C
• A-D: ALA225A, ALA85D, ARG153A, ARG171A, ARG180A, ARG189A, ARG194A, ARG38D, ASN196A, ASN47D, ASP226A, ASP83D, GLN179A, GLN51D, GLU172A, GLU174A, GLU187A, GLU208A, GLU52D, GLU82D, GLY227A, GLY81D, GLY86D, HIS192A, HIS220A, HIS221A, ILE182A, ILE195A, ILE229A, LEU184A, LEU228A, MET88D, MET90D, PHE53D, PHE89D, PRO56D, SER173A, SER175A, SER176A, SER181A, SER183A, SER206A, SER207A, SER209A, SER33D, SER48D, SER84D, THR230A, THR231A, THR40D, THR54D, TRP80D, TYR186A, TYR191A, TYR193A, TYR204A, TYR35D, TYR36D, TYR37D, TYR57D, TYR78D, TYR87D, VAL190A, VAL205A, VAL224A, VAL34D, VAL50D, VAL55D
• B-C: ALA225B, ALA85C, ARG153B, ARG171B, ARG180B, ARG189B, ARG194B, ARG38C, ASN196B, ASP226B, ASP83C, GLN179B, GLN51C, GLU157B, GLU172B, GLU174B, GLU187B, GLU208B, GLU52C, GLU82C, GLY227B, GLY81C, GLY86C, HIS192B, HIS220B, HIS221B, ILE182B, ILE195B, ILE229B, LEU184B, LEU228B, MET88C, MET90C, PHE53C, PHE89C, PRO49C, PRO56C, SER173B, SER175B, SER176B, SER181B, SER183B, SER206B, SER207B, SER209B, SER33C, SER84C, THR230B, THR231B, THR40C, THR54C, TRP80C, TYR186B, TYR191B, TYR193B, TYR204B, TYR35C, TYR36C, TYR37C, TYR57C, TYR78C, TYR87C, VAL190B, VAL205B, VAL224B, VAL34C, VAL50C, VAL55C
• B-D: ALA198B, ARG210B, ARG99D, ASN196B, ASN47D, ASN97D, ASP200B, ASP72D, CYS101D, GLU208B, GLU43D, GLY201B, GLY45D, GLY46D, GLY70D, LYS202B, PRO69D, SER199B, SER206B, SER207B, SER209B, SER48D, SER95D, THR100D, THR197B, THR44D, THR74D, TYR204B, TYR73D, TYR98D, VAL71D
• C-D: ALA15C, ALA15D, ALA16C, ARG99C, ARG99D, ASN47D, ASN97C, ASN97D, ASP26C, ASP26D, GLU12C, GLU12D, GLY1C, GLY1D, GLY45C, GLY46C, ILE23C, ILE23D, ILE75C, ILE75D, ILE94C, ILE94D, ILE96C, ILE96D, LEU11C, LEU11D, LEU21D, LEU22C, LEU22D, LYS10C, LYS10D, MET29C, MET90C, MET90D, PRO8C, PRO8D, PRO93C, PRO93D, SER24C, SER24D, SER2C, SER2D, SER31C, SER3C, SER3D, SER5C, SER5D, SER6C, SER6D, SER92C, SER92D, SER95C, SER95D, THR76C, THR76D, THR9C, THR9D, TRP25C, TRP25D, TYR91C, TYR91D, TYR98C, TYR98D, VAL13C, VAL13D, VAL14C, VAL14D, VAL4C, VAL4D, VAL77D, VAL7C, VAL7D