3QO2

structural insights for mpp8 chromodomain interaction with histone h3 lysine 9

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: D-S
  • Int. Res.: 46
  • Norm. En. per Res.: -6.9861
• 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-P	-64.796	-16.1095	-192.184	-273.0895	47	9	5	5832	0	22	15
A-D	0.0	-6.9074	-6.7501	-13.6575	14	0	0	480	0	11	21
A-S	-35.1386	-4.1749	-60.7795	-100.093	29	4	0	2336	0	11	6
P-D	-28.8679	0.0	-63.643	-92.5109	30	10	0	2445	0	10	6
P-S	-8.9828	0.0	-25.5418	-34.5246	13	1	0	1107	0	0	4
B-Q	-77.16	-45.1257	-155.189	-277.4746	43	12	5	5453	2	17	9
B-C	0.0	-3.3985	-9.2675	-12.666	15	0	0	489	0	10	16
B-R	-36.7327	-3.0758	-45.9218	-85.7304	30	11	0	2602	0	10	6
Q-C	-39.2061	-7.9207	-66.7822	-113.909	32	6	0	2592	0	11	6
Q-R	0.0	0.0	-20.9047	-20.9047	12	0	0	848	0	0	4
C-R	-69.508	-14.3292	-166.26	-250.0971	43	8	5	5570	0	21	12
C-D	-28.5169	1.5238	-119.206	-146.1991	49	6	2	4907	1	28	33
D-S	-72.0437	-61.3357	-187.98	-321.3593	46	22	5	6206	4	22	15

Interface residues

• A-P: ALA1P, ALA7P, ARG2P, ARG8P, ASP57A, ASP87A, ASP98A, CYS99A, GLN5P, GLU101A, GLU105A, GLU56A, GLU60A, GLU62A, GLU70A, GLU91A, GLU93A, GLU97A, GLY12P, GLY55A, HIS95A, ILE64A, ILE94A, LEU103A, LEU104A, LEU75A, LEU96A, LYS100A, LYS14P, LYS4P, LYS63A, LYS68A, LYS81A, MET-1A, PHE59A, PRO92A, SER10P, THR11P, THR3P, THR6P, THR89A, TRP80A, TRP90A, VAL102A, VAL58A, VAL61A, VAL78A
• A-D: ASP57A, ASP57D, GLU56A, GLU56D, GLY55A, HIS95A, HIS95D, ILE94A, ILE94D, LYS73A, LYS73D, PHE59D, PRO92A, PRO92D
• A-S: ALA15S, ARG8S, ASP86A, ASP87A, ASP88A, GLU70A, GLU91A, GLU93A, GLY12S, GLY13S, GLY71A, HIS95A, ILE94A, LEU65A, LEU75A, LYS14S, LYS68A, LYS73A, LYS77A, PRO92A, SER10S, SER85A, THR11S, THR89A, TRP80A, TRP90A, TYR76A, VAL74A, VAL78A
• P-D: ALA15P, ARG8P, ASP57D, ASP66D, ASP86D, ASP87D, ASP88D, GLU70D, GLU91D, GLU93D, GLY12P, GLY13P, HIS95D, ILE94D, LEU65D, LEU75D, LYS14P, LYS68D, LYS73D, LYS77D, PRO92D, SER10P, SER85D, THR11P, THR89D, TRP80D, TRP90D, TYR76D, VAL74D, VAL78D
• P-S: ALA15P, ARG8P, ARG8S, GLY12P, GLY12S, GLY13P, GLY13S, LYS14P, LYS14S, SER10P, SER10S, THR11P, THR11S
• B-Q: ALA7Q, ARG8Q, ASP57B, ASP87B, ASP98B, CYS99B, GLN5Q, GLU101B, GLU105B, GLU60B, GLU62B, GLU70B, GLU91B, GLU93B, GLU97B, GLY12Q, HIS95B, ILE64B, ILE94B, LEU103B, LEU104B, LEU75B, LEU96B, LYS100B, LYS14Q, LYS4Q, LYS63B, LYS68B, LYS73B, LYS81B, PHE59B, PRO92B, SER10Q, THR11Q, THR3Q, THR6Q, THR89B, TRP80B, TRP90B, VAL102B, VAL58B, VAL61B, VAL78B
• B-C: ASP57B, ASP57C, GLU56C, GLU93B, HIS95B, HIS95C, ILE94B, ILE94C, LEU75B, LYS73B, LYS73C, PHE59C, PRO92B, PRO92C, VAL58C
• B-R: ALA15R, ARG8R, ASP66B, ASP86B, ASP87B, ASP88B, GLU70B, GLU91B, GLU93B, GLY12R, GLY13R, GLY71B, HIS95B, ILE94B, LEU65B, LEU75B, LYS14R, LYS68B, LYS73B, LYS77B, PRO92B, SER10R, SER85B, THR11R, THR89B, TRP80B, TRP90B, TYR76B, VAL74B, VAL78B
• Q-C: ALA15Q, ARG8Q, ASP57C, ASP66C, ASP86C, ASP87C, ASP88C, GLU56C, GLU70C, GLU91C, GLU93C, GLY12Q, GLY13Q, GLY71C, HIS95C, ILE94C, LEU65C, LEU75C, LYS14Q, LYS68C, LYS73C, LYS77C, PRO92C, SER10Q, SER85C, THR11Q, THR89C, TRP80C, TRP90C, TYR76C, VAL74C, VAL78C
• Q-R: ARG8Q, ARG8R, GLY12Q, GLY12R, GLY13Q, GLY13R, LYS14Q, LYS14R, SER10Q, SER10R, THR11Q, THR11R
• C-R: ALA7R, ARG2R, ARG8R, ASP57C, ASP87C, ASP98C, CYS99C, GLN5R, GLU101C, GLU105C, GLU56C, GLU60C, GLU62C, GLU70C, GLU91C, GLU93C, GLU97C, GLY12R, HIS95C, ILE64C, ILE94C, LEU103C, LEU104C, LEU75C, LEU96C, LYS100C, LYS14R, LYS4R, LYS63C, LYS81C, PHE59C, PRO92C, SER10R, THR11R, THR3R, THR6R, THR89C, TRP80C, TRP90C, VAL102C, VAL58C, VAL61C, VAL78C
• C-D: ALA111C, ALA111D, ARG107C, ARG107D, ASN113C, ASN113D, ASP66C, ASP66D, GLU112C, GLU112D, GLU70C, GLU70D, GLU93C, GLU93D, GLY71C, GLY71D, GLY72C, GLY72D, ILE110C, ILE110D, ILE64C, ILE64D, ILE94C, LEU65C, LEU65D, LEU75C, LEU75D, LYS109C, LYS109D, LYS114C, LYS114D, LYS68C, LYS68D, LYS73C, LYS73D, LYS77C, LYS77D, MET67C, MET67D, PHE106C, PHE106D, THR69C, THR69D, TRP90C, TRP90D, TYR76C, TYR76D, VAL74C, VAL74D
• D-S: ALA1S, ALA7S, ARG2S, ARG8S, ASP57D, ASP87D, ASP98D, CYS99D, GLN5S, GLU101D, GLU105D, GLU56D, GLU60D, GLU62D, GLU70D, GLU91D, GLU93D, GLU97D, GLY12S, GLY71D, HIS95D, ILE64D, ILE94D, LEU103D, LEU104D, LEU75D, LEU96D, LYS100D, LYS14S, LYS4S, LYS63D, LYS73D, LYS81D, PHE59D, PRO92D, SER10S, THR11S, THR3S, THR6S, THR89D, TRP80D, TRP90D, VAL102D, VAL58D, VAL61D, VAL78D