3A1Q

crystal structure of the mouse rap80 uims in complex with lys63-linked di-ubiquitin

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 47
  • Norm. En. per Res.: -4.5198
• Hub Node: A(3)

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	-13.6902	-20.0655	21.2863	-12.4693	7	11	0	437	1	3	2
A-C	-12.6919	-63.7595	-135.979	-212.4304	47	13	5	5387	7	20	10
A-F	0.0	13.3816	-0.2006	13.1811	10	0	0	48	0	6	5
B-C	-4.5338	-25.0759	-121.322	-150.9317	41	1	8	5159	0	18	13
B-E	-14.0337	-6.2956	-24.1307	-44.46	25	4	0	1144	0	6	8
B-F	0.0	-10.161	-62.7117	-72.8727	33	7	4	3700	0	12	11
C-F	0.0	0.0	-3.7595	-3.7595	12	0	0	394	0	5	7
D-E	-26.3228	-7.9718	15.2179	-19.0767	15	14	0	882	0	4	3
D-F	-20.0239	-35.8533	-146.202	-202.0792	52	7	7	5855	0	20	11
E-F	-17.4597	-55.4657	-152.0	-224.9255	52	17	8	6832	1	25	15

Interface residues

• A-B: ARG72B, ARG74B, GLN62A, GLU64A, GLY75B, GLY76B, LYS63A
• A-C: ALA46A, ALA86C, ALA88C, ALA96C, ARG42A, ARG72A, ARG97C, ASN60A, GLN40A, GLN49A, GLN62A, GLN84C, GLN94C, GLU103C, GLU81C, GLU82C, GLU83C, GLU93C, GLU95C, GLY10A, GLY47A, GLY79C, HIS68A, ILE44A, ILE61A, LEU43A, LEU50A, LEU67A, LEU69A, LEU71A, LEU73A, LEU87C, LEU89C, LEU8A, LYS48A, LYS6A, LYS90C, MET91C, PHE45A, PHE85C, PRO77C, SER65A, SER80C, SER92C, THR66A, VAL70A, VAL99C
• A-F: ARG111F, ARG97F, ASN101F, GLN2A, GLU104F, GLU108F, GLU64A, PHE4A, THR12A, THR14A
• B-C: ALA113C, ALA115C, ALA46B, ARG111C, ARG42B, ARG72B, ARG74B, ASN119C, GLN102C, GLN49B, GLU103C, GLU106C, GLU107C, GLU108C, GLU116C, GLU98C, GLY47B, HIS68B, ILE114C, ILE44B, LEU109C, LEU110C, LEU118C, LEU43B, LEU67B, LEU69B, LEU71B, LEU73B, LEU8B, LYS105C, LYS112C, LYS48B, LYS6B, PHE45B, SER117C, SER120C, THR66B, THR7B, THR9B, VAL70B, VAL99C
• B-E: ALA46E, ASN60E, ASP32B, GLN31B, GLN40B, GLN49E, GLU34B, GLY35B, GLY47E, ILE13B, ILE30B, ILE36B, ILE44E, LEU69B, LEU71B, LEU73B, LEU8E, LYS11B, LYS33B, LYS48E, PHE45E, PRO37B, THR7B, THR9B, TYR59E
• B-F: ALA113F, ALA115F, ARG111F, ARG72B, ARG74B, ASN119F, ASP39B, GLN31B, GLN40B, GLN41B, GLU107F, GLU108F, GLU116F, GLU34B, GLY35B, GLY75B, ILE114F, ILE36B, LEU109F, LEU110F, LEU118F, LEU69B, LEU71B, LEU73B, LEU8B, LYS112F, LYS11B, PRO37B, SER117F, SER120F, THR7B, THR9B, VAL70B
• C-F: ALA115F, ARG111F, ASN119F, GLN102C, GLU106C, GLU116F, GLU98C, LEU109C, LEU118F, LYS105C, LYS112C, LYS112F
• D-E: ARG72E, ARG74E, ASP39E, GLN40E, GLN62D, GLU64D, GLY75E, GLY76E, ILE3D, LEU73E, LYS63D, PHE45D, PHE4D, SER65D, THR66D
• D-F: ALA46D, ALA86F, ALA88F, ALA96F, ARG42D, ARG72D, ARG74D, ARG97F, GLN40D, GLN41D, GLN49D, GLN62D, GLN84F, GLN94F, GLU103F, GLU64D, GLU81F, GLU82F, GLU83F, GLU93F, GLU95F, GLU98F, GLY10D, GLY47D, GLY79F, HIS68D, ILE44D, LEU43D, LEU50D, LEU67D, LEU69D, LEU71D, LEU73D, LEU78F, LEU87F, LEU89F, LEU8D, LYS48D, LYS6D, LYS90F, MET91F, PHE45D, PHE4D, PHE85F, SER65D, SER80F, SER92F, THR66D, THR7D, THR9D, VAL70D, VAL99F
• E-F: ALA113F, ALA115F, ALA46E, ALA96F, ARG111F, ARG42E, ARG72E, ARG74E, ASN100F, ASN101F, ASN119F, GLN102F, GLN40E, GLN49E, GLU103F, GLU104F, GLU106F, GLU107F, GLU108F, GLU116F, GLU95F, GLU98F, GLY10E, GLY47E, GLY75E, GLY76E, HIS68E, ILE114F, ILE44E, LEU109F, LEU110F, LEU118F, LEU43E, LEU50E, LEU67E, LEU69E, LEU71E, LEU73E, LEU8E, LYS105F, LYS112F, LYS48E, LYS6E, PHE45E, SER117F, SER120F, SER65E, THR66E, THR7E, THR9E, VAL70E, VAL99F