2A3Y

pentameric crystal structure of human serum amyloid p-component bound to bis-1,2-{[(z)-2carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}- ethane.

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 76
  • Norm. En. per Res.: -4.5959
• 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-B	-85.3663	-47.5673	-216.354	-349.2876	76	9	3	8813	5	22	18
A-E	-61.6955	-44.6567	-217.698	-324.0501	79	7	3	8733	4	21	17
B-C	-65.6969	-44.9148	-205.803	-316.4147	76	7	3	8630	5	21	17
C-D	-67.2017	-47.0863	-211.282	-325.57	74	9	3	8606	4	22	17
D-E	-47.3741	-42.9226	-203.679	-293.9757	73	4	3	8497	4	22	17

Interface residues

• A-B: ALA105B, ALA39A, ALA90A, ARG120B, ARG13A, ARG45A, ASP42A, GLN121B, GLU106B, GLU14A, GLU153A, GLU167B, GLU70B, GLU86A, GLU86B, GLU99B, GLY103B, GLY118B, GLY122B, GLY152A, GLY194A, GLY69B, HIS78B, ILE104B, ILE109B, ILE197A, ILE198A, ILE85B, LEU114B, LEU119B, LEU164B, LEU170B, LEU201A, LEU43A, LYS116B, LYS117B, LYS199A, LYS79B, LYS83B, LYS87A, PHE107B, PHE11A, PHE150A, PHE88A, PHE9A, PRO113B, PRO12A, PRO165B, PRO166B, PRO200A, PRO89A, PRO91A, SER100B, SER101B, SER102B, SER41A, SER44A, SER82B, THR112B, THR81B, TRP108B, TRP203A, TRP98B, TYR195A, TYR40A, TYR71B, VAL10A, VAL115B, VAL151A, VAL163B, VAL196A, VAL202A, VAL204A, VAL80B, VAL84B, VAL8A
• A-E: ALA105A, ALA39E, ALA90E, ARG120A, ARG13E, ARG45E, ASP42E, GLN121A, GLU106A, GLU14E, GLU153E, GLU167A, GLU70A, GLU86A, GLU86E, GLU99A, GLY103A, GLY111A, GLY118A, GLY122A, GLY152E, GLY194E, GLY69A, HIS78A, ILE104A, ILE169A, ILE197E, ILE198E, ILE85A, LEU114A, LEU119A, LEU164A, LEU170A, LEU201E, LEU43E, LYS116A, LYS117A, LYS199E, LYS83A, LYS87E, PHE107A, PHE11E, PHE150E, PHE88E, PHE9E, PRO113A, PRO12E, PRO165A, PRO166A, PRO200E, PRO89E, PRO91E, SER100A, SER101A, SER102A, SER41E, SER44E, SER82A, SER97A, THR112A, THR81A, TRP108A, TRP203E, TRP98A, TYR195E, TYR40E, TYR47E, TYR71A, VAL10E, VAL115A, VAL151E, VAL163A, VAL196E, VAL202E, VAL204E, VAL68E, VAL80A, VAL84A, VAL8E
• B-C: ALA105C, ALA39B, ALA90B, ARG120C, ARG13B, ARG45B, ASP42B, GLN121C, GLU106C, GLU14B, GLU153B, GLU167C, GLU70C, GLU86B, GLU86C, GLU99C, GLY103C, GLY111C, GLY118C, GLY122C, GLY152B, GLY194B, GLY69C, ILE104C, ILE109C, ILE169C, ILE197B, ILE198B, ILE85C, LEU114C, LEU119C, LEU164C, LEU170C, LEU201B, LEU43B, LYS116C, LYS117C, LYS199B, LYS83C, LYS87B, PHE107C, PHE11B, PHE150B, PHE88B, PHE9B, PRO113C, PRO12B, PRO165C, PRO166C, PRO200B, PRO89B, PRO91B, SER100C, SER101C, SER102C, SER41B, SER44B, SER82C, THR112C, THR81C, TRP108C, TRP203B, TRP98C, TYR195B, TYR40B, TYR71C, VAL10B, VAL115C, VAL151B, VAL163C, VAL196B, VAL202B, VAL204B, VAL80C, VAL84C, VAL8B
• C-D: ALA105D, ALA39C, ALA90C, ARG120D, ARG13C, ARG45C, ASP42C, GLN121D, GLU106D, GLU14C, GLU153C, GLU167D, GLU70D, GLU86C, GLU86D, GLU99D, GLY103D, GLY118D, GLY152C, GLY194C, GLY69D, ILE104D, ILE154C, ILE169D, ILE197C, ILE198C, ILE85D, LEU114D, LEU119D, LEU170D, LEU201C, LEU43C, LYS116D, LYS117D, LYS199C, LYS83D, LYS87C, PHE107D, PHE11C, PHE150C, PHE88C, PHE9C, PRO113D, PRO12C, PRO165D, PRO166D, PRO200C, PRO89C, PRO91C, SER100D, SER101D, SER102D, SER41C, SER44C, SER82D, THR112D, THR81D, TRP108D, TRP203C, TRP98D, TYR195C, TYR40C, TYR71D, VAL10C, VAL115D, VAL151C, VAL163D, VAL196C, VAL202C, VAL204C, VAL68C, VAL80D, VAL84D, VAL8C
• D-E: ALA105E, ALA39D, ALA90D, ARG120E, ARG13D, ARG45D, ASP42D, GLN121E, GLU106E, GLU14D, GLU153D, GLU167E, GLU70E, GLU86D, GLU86E, GLU99E, GLY103E, GLY111E, GLY118E, GLY152D, GLY69E, ILE104E, ILE169E, ILE197D, ILE198D, ILE85E, LEU114E, LEU119E, LEU164E, LEU170E, LEU201D, LEU43D, LYS116E, LYS117E, LYS199D, LYS83E, LYS87D, PHE107E, PHE11D, PHE150D, PHE88D, PHE9D, PRO113E, PRO12D, PRO165E, PRO166E, PRO200D, PRO89D, PRO91D, SER100E, SER101E, SER102E, SER41D, SER44D, SER82E, THR112E, THR81E, TRP108E, TRP203D, TRP98E, TYR195D, TYR40D, TYR71E, VAL10D, VAL115E, VAL151D, VAL163E, VAL196D, VAL202D, VAL204D, VAL80E, VAL84E, VAL8D