3U5O

crystal structure of the complex of trim33 phd-bromo and h3(1-22) k9me3k14ack18ac histone peptide

• Total interactions analyzed: 120
• Total true interactions: 34
• Strongest Interaction:
  • Chains: G-O
  • Int. Res.: 72
  • Norm. En. per Res.: -5.4512
• Hub Node: A(9)

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	-7.2541	8.4307	-34.2108	-33.0342	37	1	0	1425	0	21	17
A-C	0.0	0.0	-0.0116	-0.0116	2	0	0	12	0	4	8
A-D	-10.0454	-15.7899	-84.842	-110.6773	46	11	9	5378	2	14	18
A-E	-8.9536	0.8953	-30.0928	-38.1511	35	2	0	1317	0	18	14
A-H	0.0	0.0	-0.4203	-0.4203	5	0	0	55	0	1	0
A-I	-58.6691	-64.8334	-207.961	-331.4635	72	10	2	8093	2	20	9
A-J	0.0	0.0	-0.0375	-0.0375	3	0	0	20	0	1	0
A-M	-4.7226	0.0	-11.5206	-16.2432	22	1	1	655	0	0	2
A-P	0.0	0.0	-0.1479	-0.1479	7	0	0	32	0	2	1
B-C	0.0	-2.6799	-17.0689	-19.7488	30	1	1	1120	1	9	7
B-F	-10.6312	8.053	-32.5027	-35.0809	36	2	0	1385	0	17	15
B-G	0.0	0.0	-0.0277	-0.0277	3	0	0	14	0	4	8
B-H	0.0	0.0	-2.0805	-2.0805	10	0	0	297	0	0	1
B-I	0.0	0.0	-12.8429	-12.8429	26	3	1	871	0	0	2
B-J	-51.5654	-76.9815	-218.651	-347.1979	74	17	4	8433	3	20	9
B-N	0.0	0.0	-0.0098	-0.0098	3	0	0	8	0	1	0
C-F	0.0	0.0	-13.1573	-13.1573	18	0	0	991	0	0	2
C-J	0.0	0.0	-10.9001	-10.9001	25	0	0	761	0	3	4
C-K	-55.2816	-68.8297	-221.525	-345.6363	74	18	3	8364	3	20	9
C-N	0.0	0.0	-5.3912	-5.3912	5	1	0	222	0	0	1
D-E	0.0	0.0	-0.6786	-0.6786	7	0	0	81	0	1	0
D-H	-11.3758	1.797	-30.0061	-39.5849	34	1	0	1305	0	16	14
D-L	-51.0819	-77.1681	-213.524	-341.774	75	10	2	8372	4	20	8
D-M	0.0	0.0	-0.3402	-0.3402	5	0	0	80	0	2	1
D-P	-9.6596	0.0	-10.3698	-20.0294	25	2	1	807	0	0	2
E-I	0.0	0.0	-0.1645	-0.1645	3	0	0	25	0	1	0
E-M	-39.037	-69.3708	-213.937	-322.3447	74	11	3	8261	3	20	9
F-G	0.0	0.4293	-14.1029	-13.6736	25	1	1	801	1	6	7
F-J	-2.42	0.0	-16.4275	-18.8474	25	2	1	957	0	0	2
F-N	-43.4595	-57.5549	-215.473	-316.4873	72	10	4	8314	3	20	9
G-N	0.0	0.0	-4.7108	-4.7108	17	0	0	382	0	3	2
G-O	-90.5638	-75.1721	-226.747	-392.4829	72	15	4	8359	3	20	9
H-L	0.0	0.0	-0.0254	-0.0254	3	0	0	18	0	2	0
H-P	-56.0994	-61.8367	-226.7	-344.6361	77	20	3	8774	4	20	9

Interface residues

• A-B: ALA1068A, ALA988B, ASP1075A, ASP883A, ASP883A5, ASP884A, ASP888A, CB7.5086033.72297, GLN1016B, GLN894A, GLU887A, GLU977A, GLU984B, GLY896A, GLY897A, HIS1014B, HIS948B, HIS976A, ILE990B, LEU978A, LYS1008B, LYS1013B, LYS1076A, LYS951B, LYS995B, PRO1000B, PRO906A, PRO985B, PRO987B, SER1015B, SER989B, TRP889A, TYR1072A, TYR993B, TYR994B, VAL1069A, VAL986B
• A-C: LYS904A, LYS904C
• A-D: ALA1049A, ALA1049D, ARG1037A, ARG1037D, ASN1034A, ASN1034D, ASN992A, ASN992D, GLN1046A, GLN1046D, GLU1036A, GLU1036D, GLU1040A, GLU1040D, ILE996A, ILE996D, ILE997A, ILE997D, LYS1043A, LYS1043D, LYS995A, LYS995D, LYS998A, LYS998D, LYS999A, LYS999D, MET1041A, MET1041D, MET1042A, MET1042D, PHE1038A, PHE1038D, PRO991A, PRO991D, TYR1048A, TYR1048D, TYR993A, TYR993D, TYR994A, TYR994D, VAL1044A, VAL1044D, VAL1045A, VAL1045D, VAL1047A, VAL1047D
• A-E: ALA1068E, ALA988A, ASP1075E, ASP883E, ASP884E, ASP888E, CYS975E, GLN1016A, GLN894E, GLU887E, GLU977E, GLU984A, GLY896E, HIS1014A, HIS948A, HIS976E, ILE990A, LEU978E, LYS1008A, LYS1009A, LYS1013A, LYS1076E, LYS995A, PRO1000A, PRO906E, PRO985A, PRO987A, SER1015A, SER989A, TRP889E, TYR1072E, TYR993A, TYR994A, VAL1069E, VAL986A
• A-H: ALA1049H, ASP1083A, GLN1046H, SER1082A, THR1085A
• A-I: ALA1063A, ALA1065A, ALA1068A, ALA15I, ALA1I, ALA7I, ARG17I, ARG2I, ARG8I, ASN886A, ASN895A, ASP883A, ASP884A, ASP888A, ASP898A, ASP925A, CYS890A, CYS893A, CYS901A, CYS902A, CYS905A, CYS913A, GLN1064A, GLN19I, GLN5I, GLN894A, GLN983A, GLU1061A, GLU887A, GLU903A, GLU977A, GLU981A, GLU984A, GLY1066A, GLY12I, GLY13I, GLY896A, GLY897A, GLY924A, HIS910A, HIS976A, ILE927A, ILE980A, ILE990A, LEU899A, LEU900A, LEU911A, LEU978A, LYS4I, LYS904A, LYS907A, PHE909A, PHE921A, PHE982A, PRO16I, PRO885A, PRO906A, PRO922A, PRO987A, SER1060A, SER10I, SER923A, SER979A, SER989A, THR11I, THR3I, THR6I, TRP889A, TRP926A, VAL1062A, VAL1069A, VAL908A
• A-J: ARG17J, ASP883A, GLN19J
• A-M: ALA15M, ALA7M, ALA988A, ARG8M, ASN992A, GLN1016A, GLN5M, GLY13M, ILE990A, LYS4M, LYS995A, LYS998A, LYS999A, PRO16M, PRO987A, PRO991A, SER10M, SER989A, THR11M, THR6M, TYR993A, TYR994A
• A-P: GLU1036A, GLU1040A, GLU1074A, LEU1071A, LEU20P, SER10P, THR11P
• B-C: ALA955C, ARG1084C, ARG964C, ASP1083C, ASP884B, ASP898B, ASP942B, ASP962C, CYS901B, GLN956C, GLY897B, GLY935C, HIS910B, ILE934C, LEU899B, LEU911B, LEU918B, LEU919B, LYS936C, LYS965C, PHE921B, PRO922B, PRO937C, PRO960C, SER920B, SER923B, SER959C, THR912B, TYR1081C, VAL961C
• B-F: ALA1068B, ALA988F, ASP1075B, ASP883B, ASP884B, ASP888B, GLN1016F, GLN894B, GLU1079B, GLU887B, GLU977B, GLU984F, GLY896B, GLY897B, HIS1014F, HIS948F, HIS976B, ILE990F, LEU1071B, LEU978B, LYS1008F, LYS1013F, LYS1076B, LYS995F, PRO1000F, PRO985F, PRO987F, SER1015F, SER989F, TRP889B, TYR1072B, TYR972B, TYR993F, TYR994F, VAL1069B, VAL986F
• B-G: LYS904B, LYS904G, LYS936B
• B-H: ALA1049H, ASN992H, LYS950B, LYS951B, LYS995H, PRO991H, SER949B, SER989H, TYR1048H, VAL1045H
• B-I: ALA15I, ALA7I, ALA988B, ARG8I, ASN992B, GLN1016B, GLN5I, GLY12I, GLY13I, ILE990B, ILE996B, ILE997B, LYS4I, LYS995B, LYS998B, LYS999B, PRO1000B, PRO16I, PRO987B, PRO991B, SER10I, SER989B, THR11I, THR6I, TYR993B, TYR994B
• B-J: ALA1063B, ALA1065B, ALA1068B, ALA15J, ALA1J, ALA7J, ARG17J, ARG2J, ARG8J, ASN886B, ASN895B, ASP883B, ASP884B, ASP888B, ASP898B, ASP925B, CYS890B, CYS893B, CYS901B, CYS902B, CYS905B, GLN1064B, GLN19J, GLN5J, GLN894B, GLN983B, GLU1061B, GLU887B, GLU903B, GLU977B, GLU981B, GLU984B, GLY1066B, GLY12J, GLY13J, GLY896B, GLY897B, GLY924B, HIS910B, HIS976B, ILE927B, ILE980B, ILE990B, LEU20J, LEU899B, LEU900B, LEU911B, LEU978B, LYS4J, LYS904B, LYS907B, PHE909B, PHE921B, PHE982B, PRO16J, PRO885B, PRO906B, PRO922B, PRO987B, PRO991B, SER1060B, SER10J, SER923B, SER979B, SER989B, THR11J, THR3J, THR6J, TRP889B, TRP926B, VAL1062B, VAL1069B, VAL908B, VAL986B
• B-N: ARG17N, ASP883B, GLN19N
• C-F: ALA1049F, ALA955C, ALA988F, ASN992F, GLN1046F, GLY952C, ILE990F, LYS950C, LYS951C, LYS953C, LYS995F, PRO987F, PRO991F, SER949C, SER989F, THR954C, TYR1048F, VAL1045F
• C-J: ALA1J, ALA7J, ALA955C, ARG2J, ARG8J, ARG964C, ASP962C, GLN5J, GLN956C, GLN963C, GLY957C, ILE1020C, LEU946C, LEU958C, LYS1012C, LYS4J, LYS936C, LYS950C, PRO960C, SER949C, SER959C, THR3J, THR6J, THR954C, VAL961C
• C-K: ALA1063C, ALA1065C, ALA1068C, ALA15K, ALA1K, ALA7K, ARG17K, ARG2K, ARG8K, ASN886C, ASN895C, ASP883C, ASP884C, ASP888C, ASP898C, ASP925C, CYS890C, CYS893C, CYS901C, CYS902C, CYS905C, CYS913C, GLN1064C, GLN19K, GLN5K, GLN894C, GLN983C, GLU1061C, GLU887C, GLU903C, GLU977C, GLU981C, GLU984C, GLY1066C, GLY12K, GLY13K, GLY896C, GLY897C, GLY924C, HIS910C, HIS976C, ILE927C, ILE980C, ILE990C, LEU20K, LEU899C, LEU900C, LEU911C, LEU978C, LYS4K, LYS904C, LYS907C, PHE909C, PHE921C, PHE982C, PRO16K, PRO885C, PRO906C, PRO922C, PRO987C, SER1060C, SER10K, SER923C, SER979C, SER989C, THR11K, THR3K, THR6K, TRP889C, TRP926C, VAL1062C, VAL1069C, VAL908C, VAL986C
• C-N: ALA955C, ARG17N, GLN19N, LEU20N, LYS953C
• D-E: ALA1049E, ASP1083D, GLN1046E, GLU1079D, SER1082D, THR1078D, THR1085D
• D-H: ALA1068H, ALA988D, ASN895H, ASP1075H, ASP883H, ASP884H, ASP888H, GLN1016D, GLN894H, GLU887H, GLU977H, GLU984D, GLY896H, HIS1014D, HIS948D, HIS976H, ILE990D, LEU978H, LYS1008D, LYS1009D, LYS1013D, LYS1076H, LYS995D, PRO1000D, PRO985D, PRO987D, SER1015D, SER989D, TRP889H, TYR1072H, TYR993D, TYR994D, VAL1069H, VAL986D
• D-L: ALA1063D, ALA1065D, ALA1068D, ALA15L, ALA1L, ALA7L, ARG17L, ARG2L, ARG8L, ASN886D, ASN895D, ASP883D, ASP884D, ASP888D, ASP898D, ASP925D, CYS890D, CYS893D, CYS901D, CYS902D, CYS905D, CYS913D, GLN1064D, GLN19L, GLN5L, GLN894D, GLN983D, GLU1061D, GLU887D, GLU903D, GLU977D, GLU981D, GLU984D, GLY1066D, GLY12L, GLY13L, GLY896D, GLY897D, GLY924D, HIS910D, HIS976D, ILE927D, ILE980D, ILE990D, LEU20L, LEU899D, LEU900D, LEU911D, LEU978D, LYS4L, LYS904D, LYS907D, PHE909D, PHE921D, PHE982D, PRO16L, PRO885D, PRO906D, PRO922D, PRO987D, PRO991D, SER1060D, SER10L, SER923D, SER979D, SER989D, THR11L, THR3L, THR6L, TRP889D, TRP926D, VAL1062D, VAL1069D, VAL908D, VAL986D
• D-M: GLU1040D, GLU1074D, LEU1071D, LEU20M, SER10M
• D-P: ALA15P, ALA7P, ALA988D, ARG8P, ASN992D, GLN1016D, GLN5P, GLY12P, GLY13P, ILE990D, ILE996D, ILE997D, LYS4P, LYS995D, LYS998D, LYS999D, PRO1000D, PRO987D, PRO991D, SER10P, SER989D, THR11P, THR6P, TYR993D, TYR994D
• E-I: ARG17I, ASP883E, GLN19I
• E-M: ALA1063E, ALA1065E, ALA1068E, ALA15M, ALA1M, ALA7M, ARG17M, ARG2M, ARG8M, ASN886E, ASN895E, ASP884E, ASP888E, ASP898E, ASP925E, CYS890E, CYS893E, CYS901E, CYS902E, CYS905E, CYS913E, GLN1064E, GLN19M, GLN5M, GLN894E, GLN983E, GLU1061E, GLU887E, GLU903E, GLU977E, GLU981E, GLU984E, GLY1066E, GLY12M, GLY13M, GLY896E, GLY897E, GLY924E, HIS910E, HIS976E, ILE927E, ILE980E, ILE990E, LEU20M, LEU899E, LEU900E, LEU911E, LEU978E, LYS4M, LYS904E, LYS907E, PHE909E, PHE921E, PHE982E, PRO16M, PRO885E, PRO906E, PRO922E, PRO987E, SER1060E, SER10M, SER923E, SER979E, SER989E, THR11M, THR3M, THR6M, TRP889E, TRP926E, VAL1062E, VAL1069E, VAL892E, VAL908E, VAL986E
• F-G: ARG1084G, ARG964G, ASP1083G, ASP898F, ASP942F, ASP962G, GLY897F, GLY935G, ILE934G, LEU899F, LEU911F, LEU918F, LEU919F, LYS936G, LYS965G, PHE921F, PRO922F, PRO937G, PRO960G, SER920F, SER923F, SER959G, THR912F, THR917F, VAL961G
• F-J: ALA15J, ALA7J, ALA988F, ARG8J, ASN992F, GLN1016F, GLN5J, GLY12J, GLY13J, ILE990F, ILE997F, LYS4J, LYS995F, LYS998F, LYS999F, PRO1000F, PRO16J, PRO987F, PRO991F, SER10J, SER989F, THR11J, THR6J, TYR993F, TYR994F
• F-N: ALA1063F, ALA1065F, ALA15N, ALA1N, ALA7N, ARG17N, ARG2N, ARG8N, ASN886F, ASN895F, ASP883F, ASP884F, ASP888F, ASP898F, ASP925F, CYS890F, CYS893F, CYS901F, CYS902F, CYS905F, GLN1064F, GLN19N, GLN5N, GLN894F, GLN983F, GLU1061F, GLU887F, GLU903F, GLU977F, GLU981F, GLU984F, GLY1066F, GLY12N, GLY13N, GLY896F, GLY897F, GLY924F, HIS910F, HIS976F, ILE927F, ILE980F, ILE990F, LEU899F, LEU900F, LEU911F, LEU978F, LYS4N, LYS904F, LYS907F, PHE909F, PHE921F, PHE982F, PRO16N, PRO885F, PRO906F, PRO922F, PRO985F, PRO987F, SER1060F, SER10N, SER923F, SER979F, SER989F, THR11N, THR3N, THR6N, TRP889F, TRP926F, VAL1062F, VAL1069F, VAL908F, VAL986F
• G-N: ALA1N, ARG1084G, ARG2N, ARG964G, ASP962G, GLN5N, GLN963G, ILE1020G, LEU946G, LYS1012G, LYS4N, PRO937G, PRO960G, SER959G, THR3N, THR6N, VAL961G
• G-O: ALA1063G, ALA1065G, ALA1068G, ALA15O, ALA1O, ALA7O, ARG17O, ARG2O, ARG8O, ASN886G, ASN895G, ASP884G, ASP888G, ASP898G, ASP925G, CYS890G, CYS893G, CYS901G, CYS902G, CYS905G, CYS913G, GLN1064G, GLN19O, GLN5O, GLN894G, GLN983G, GLU1061G, GLU887G, GLU903G, GLU977G, GLU981G, GLU984G, GLY1066G, GLY12O, GLY13O, GLY896G, GLY897G, GLY924G, HIS910G, HIS976G, ILE927G, ILE980G, ILE990G, LEU899G, LEU900G, LEU911G, LEU978G, LYS4O, LYS904G, LYS907G, PHE909G, PHE921G, PHE982G, PRO16O, PRO885G, PRO906G, PRO922G, PRO987G, SER1060G, SER10O, SER923G, SER979G, SER989G, THR11O, THR3O, THR6O, TRP889G, TRP926G, VAL1062G, VAL1069G, VAL908G, VAL986G
• H-L: ARG17L, ASP883H, GLN19L
• H-P: ALA1063H, ALA1065H, ALA1068H, ALA15P, ALA1P, ALA7P, ARG17P, ARG2P, ARG8P, ASN886H, ASN895H, ASP883H, ASP884H, ASP888H, ASP898H, ASP925H, CYS890H, CYS893H, CYS901H, CYS902H, CYS905H, CYS913H, GLN1064H, GLN19P, GLN5P, GLN894H, GLN983H, GLU1061H, GLU887H, GLU903H, GLU977H, GLU981H, GLU984H, GLY1066H, GLY12P, GLY13P, GLY896H, GLY897H, GLY924H, HIS910H, HIS976H, ILE927H, ILE980H, ILE990H, LEU20P, LEU899H, LEU900H, LEU911H, LEU978H, LYS4P, LYS904H, LYS907H, PHE1038H, PHE909H, PHE921H, PHE982H, PRO16P, PRO885H, PRO906H, PRO922H, PRO985H, PRO987H, PRO991H, SER1060H, SER10P, SER923H, SER979H, SER989H, THR11P, THR3P, THR6P, TRP889H, TRP926H, VAL1062H, VAL1069H, VAL908H, VAL986H