3NY2

structure of the ubr-box of ubr2 ubiquitin ligase

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 52
  • Norm. En. per Res.: -5.6617
• 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-D	-38.6135	-100.2002	-113.479	-252.2928	56	12	0	4475	8	15	7
A-F	0.0	0.0	-0.2168	-0.2168	9	0	0	95	0	4	2
A-H	-26.3479	-101.1209	-117.366	-244.8348	53	6	0	4751	7	15	7
B-C	0.0	0.0	-1.0332	-1.0332	10	0	0	208	0	8	4
B-D	0.0	0.0	-0.0069	-0.0069	4	0	0	7	0	1	3
B-E	0.0	0.0	-1.9358	-1.9358	17	0	0	296	0	13	13
B-H	-18.6979	-31.3093	-73.4524	-123.4596	40	5	0	3206	3	11	9
C-D	-3.897	-21.5295	-78.2421	-103.6686	39	3	0	3117	2	11	7
C-E	0.0	0.0	-2.3946	-2.3946	17	0	0	328	0	15	14
C-G	0.0	0.0	-4.7044	-4.7044	18	0	0	385	0	14	13
D-F	-60.8883	-115.8832	-117.638	-294.4095	52	13	0	4183	8	14	5
D-H	0.0	0.0	-2.4409	-2.4409	14	0	0	349	0	8	5
E-G	0.0	0.0	-0.0945	-0.0945	4	0	0	50	0	7	3

Interface residues

• A-D: ALA116A, ALA116D, ALA156A, ALA156D, ARG101D, ARG113A, ARG137A, ARG139A, ASP114A, ASP118A, ASP118D, ASP150D, ASP153D, CYS112A, CYS115A, CYS121A, CYS121D, CYS149D, CYS151D, CYS99D, GLU155D, GLY100D, GLY106A, GLY144A, GLY144D, GLY145D, GLY146D, GLY147D, HIS136A, LEU123D, LEU98D, LYS158A, MET140A, PHE103D, PHE148D, PRO108A, PRO119A, PRO119D, SER111A, SER111D, SER143A, SER143D, THR109A, THR109D, THR120A, THR120D, THR141A, THR142A, THR154D, TRP157A, TRP157D, TYR138A, VAL102D, VAL117A, VAL117D, VAL122D
• A-F: ARG134A, ARG137A, ASP135A, GLY96F, HIS136A, LEU98F, SER97F, THR154F, TYR138A
• A-H: ALA116A, ALA116H, ALA156A, ALA156H, ARG101A, ARG113H, ARG137H, ARG139H, ASP114H, ASP118A, ASP118H, ASP150A, ASP153A, CYS112H, CYS115H, CYS121A, CYS121H, CYS149A, CYS151A, CYS99A, GLU155A, GLY100A, GLY144A, GLY144H, GLY145A, GLY146A, GLY147A, HIS136H, LEU123A, LEU98A, LYS158H, MET140H, PHE103A, PHE148A, PRO119A, PRO119H, SER111H, SER143A, SER143H, THR109A, THR109H, THR120A, THR120H, THR141H, THR142H, THR154A, TRP157A, TRP157H, TYR138H, VAL102A, VAL117A, VAL117H, VAL122A
• B-C: ARG113C, ARG134C, ARG137C, ARG139C, ASP135C, GLY96B, HIS136C, LEU98B, SER97B, TYR138C
• B-D: ARG101D, LYS104D, LYS165B, SER97B
• B-E: ARG137E, ASP114E, ASP135E, CYS115E, GLU155B, GLU159B, GLU159E, GLU167B, GLY160E, GLY96B, HIS136E, ILE132E, LYS158B, LYS158E, PRO161B, THR154B, TYR162B
• B-H: ARG101H, ARG134B, ASP135B, CYS124H, CYS127B, CYS127H, CYS163B, GLN164B, GLU107H, GLU126B, GLU126H, GLU167B, GLY106H, GLY130B, GLY145H, HIS133B, ILE132B, LEU129B, LEU129H, LYS104H, LYS165B, LYS165H, MET125B, MET125H, MET140H, PHE103H, PHE128B, PHE128H, PRO108H, SER131B, SER143H, THR109H, THR141H, THR142H, TYR110B, TYR110H, TYR138B, TYR162B, VAL102H, VAL105H
• C-D: ARG101D, ARG134C, ASP135C, CYS124D, CYS127C, CYS127D, CYS163C, GLN164C, GLU107D, GLU126C, GLU126D, GLU167C, GLY106D, GLY130C, HIS133C, HIS166C, ILE132C, LEU129C, LEU129D, LYS104D, LYS165C, MET125C, MET125D, MET140D, PHE103D, PHE128C, PHE128D, PRO108D, SER131C, SER143D, THR109D, THR141D, THR142D, TYR110C, TYR110D, TYR138C, TYR138D, VAL102D, VAL105D
• C-E: ARG137C, ASP114C, ASP135C, CYS115C, GLU155E, GLU159C, GLU159E, GLU167E, GLY160C, GLY160E, HIS136C, ILE132C, LYS158C, LYS158E, PRO161E, THR154E, TYR162E
• C-G: ARG137G, ASP114G, ASP153C, CYS115G, GLU155C, GLU159C, GLU159G, GLU167C, GLY152C, HIS136G, ILE132G, LEU98C, LYS158C, LYS158G, PRO161C, SER97C, THR154C, TYR162C
• D-F: ALA116D, ALA116F, ALA156D, ALA156F, ARG101F, ARG113D, ARG137D, ARG139D, ASP114D, ASP118D, ASP118F, ASP150F, ASP153F, CYS112D, CYS115D, CYS121D, CYS121F, CYS149F, CYS151F, CYS99F, GLU155F, GLY100F, GLY106D, GLY144D, GLY145F, GLY146F, GLY147F, LEU123F, LEU98F, LYS158D, MET140D, PHE103F, PHE148F, PRO108D, PRO119D, PRO119F, SER111D, SER143D, THR109D, THR109F, THR120D, THR120F, THR141D, THR142D, THR154F, TRP157D, TRP157F, TYR138D, VAL102F, VAL117D, VAL117F, VAL122F
• D-H: ARG134H, ARG137H, ARG139H, ASP135H, ASP153D, GLY152D, GLY96D, HIS136H, LEU95D, LEU98D, SER97D, THR154D, TYR138H, TYR162D
• E-G: ARG137G, HIS136G, LEU98E, TYR138G