3U5P

crystal structure of the complex of trim33 phd-bromo and h3(1-28) k9me3k14ack18ack23ac histone peptide

• Total interactions analyzed: 120
• Total true interactions: 27
• Strongest Interaction:
  • Chains: H-P
  • Int. Res.: 68
  • Norm. En. per Res.: -5.1253
• Hub Node: C(5)

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-I	-63.9248	-66.1778	-196.018	-326.1206	71	12	0	7859	4	18	8
A-B	0.0	0.0	-8.7833	-8.7833	24	0	1	633	1	5	7
I-B	0.0	0.0	-5.5673	-5.5673	17	0	0	444	0	3	2
B-J	-74.5605	-63.4032	-203.789	-341.7527	68	11	2	7981	2	18	7
B-G	-13.1461	-12.0599	-95.2347	-120.4407	46	6	7	5635	2	14	18
B-H	-9.9197	-6.8214	-31.3775	-48.1185	35	1	0	1397	0	19	16
B-P	-7.473	0.0	-4.4518	-11.9248	20	3	1	584	0	0	2
C-K	-70.9885	-53.815	-198.633	-323.4365	66	7	1	7747	2	18	8
C-D	0.0	0.0	-1.435	-1.435	7	0	0	134	0	1	0
C-L	0.0	0.0	-1.3678	-1.3678	8	0	0	97	0	2	1
C-E	-9.6357	-6.401	-32.8876	-48.9243	31	1	0	1401	0	19	11
C-H	-14.2844	-10.6696	-110.218	-135.172	47	6	8	5655	2	14	18
K-E	0.0	0.0	-7.5352	-7.5352	21	3	1	612	0	0	2
D-L	-55.0316	-56.1183	-207.066	-318.2159	67	8	1	8030	3	18	9
D-E	0.0	0.0	-6.5449	-6.5449	9	0	0	419	0	0	1
D-F	-9.5156	-7.357	-32.1715	-49.0441	35	1	0	1384	0	19	14
D-N	-5.9994	0.0	-10.4621	-16.4615	21	1	1	639	0	0	2
D-H	-10.0003	-5.666	-31.2077	-46.8739	32	1	0	1393	0	19	14
L-H	0.0	0.0	-12.1155	-12.1155	21	0	1	763	0	0	2
E-M	-73.9969	-73.0149	-210.306	-357.3178	70	8	0	8037	3	18	8
E-F	0.0	-0.9082	-11.7267	-12.6349	24	0	1	772	0	6	7
E-N	0.0	0.0	-6.3736	-6.3736	21	0	0	462	0	4	2
F-N	-66.9154	-52.5626	-193.849	-313.327	67	11	1	7651	2	18	8
G-O	-84.9182	-47.3115	-215.382	-347.6117	70	8	3	8143	3	19	8
G-H	0.0	0.0	-0.9808	-0.9808	7	0	0	113	0	1	0
G-P	0.0	0.0	-0.5893	-0.5893	4	0	0	31	0	2	1
H-P	-78.7817	-66.9545	-202.783	-348.5192	68	12	2	8030	3	18	8

Interface residues

• A-I: ALA1063A, ALA1065A, ALA15I, ALA1I, ALA7I, ARG17I, ARG2I, ARG8I, ASN886A, ASN895A, ASP884A, ASP884A5, ASP888A, ASP898A, ASP925A, CB7.54530-29.60552, CB9.94992-61.86713, CYS890A, CYS893A, CYS901A, CYS902A, CYS905A, CYS913A, GLN1064A, GLN5I, GLN894A, GLN983A, GLU1061A, GLU887A, GLU903A, GLU977A, GLU981A, GLU984A, GLY1066A, GLY12I, GLY13I, GLY896A, GLY897A, GLY924A, HIS910A, ILE927A, ILE980A, ILE990A, LEU899A, LEU900A, LEU911A, LEU978A, LYS4I, LYS904A, LYS907A, PHE909A, PHE921A, PHE982A, PRO16I, PRO885A, PRO906A, PRO922A, PRO987A, SER1060A, SER10I, SER923A, SER979A, THR11I, THR3I, THR6I, TRP889A, TRP926A, VAL1062A, VAL1069A, VAL892A, VAL908A
• A-B: ARG1084B, ARG964B, ASP1083B, ASP898A, ASP962B, GLY897A, GLY935B, ILE934B, LEU899A, LEU911A, LEU919A, LYS936B, LYS965B, PHE921A, PRO922A, PRO937B, PRO960B, SER920A, SER923A, SER959B, THR1085B, THR912A, TYR1081B, VAL961B
• I-B: ALA1I, ALA7I, ARG1084B, ARG2I, ARG964B, ASP962B, GLN5I, LEU946B, LEU958B, LYS1012B, LYS4I, PRO960B, SER949B, SER959B, THR3I, THR6I, VAL961B
• B-J: ALA1063B, ALA1065B, ALA1068B, ALA15J, ALA1J, ALA7J, ARG17J, ARG2J, ARG8J, ASN886B, ASN895B, ASP884B, ASP888B, ASP898B, ASP925B, CYS890B, CYS893B, CYS901B, CYS902B, CYS905B, CYS913B, GLN1064B, GLN5J, GLN894B, GLN983B, GLU1061B, GLU887B, GLU903B, GLU977B, GLU981B, GLU984B, GLY1066B, GLY12J, GLY896B, GLY897B, GLY924B, HIS910B, ILE927B, ILE980B, ILE990B, LEU899B, LEU900B, LEU911B, LEU978B, LYS4J, LYS904B, LYS907B, PHE909B, PHE921B, PHE982B, PRO16J, PRO885B, PRO906B, PRO922B, PRO987B, SER1060B, SER10J, SER923B, SER979B, THR11J, THR3J, THR6J, TRP889B, TRP926B, VAL1062B, VAL1069B, VAL892B, VAL908B
• B-G: ALA1049B, ALA1049G, ARG1037B, ARG1037G, ASN1034G, ASN992B, ASN992G, GLN1046B, GLN1046G, GLU1036B, GLU1036G, GLU1040B, GLU1040G, ILE996B, ILE996G, ILE997B, ILE997G, LYS1033G, LYS1043B, LYS1043G, LYS995B, LYS995G, LYS998B, LYS998G, LYS999B, LYS999G, MET1041B, MET1041G, MET1042B, MET1042G, PHE1038B, PHE1038G, PRO991B, PRO991G, TYR1048B, TYR1048G, TYR993B, TYR993G, TYR994B, TYR994G, VAL1044B, VAL1044G, VAL1045B, VAL1045G, VAL1047B, VAL1047G
• B-H: ALA1068H, ALA988B, ASP1075H, ASP884H, ASP888H, CYS975H, GLN1016B, GLN894H, GLU1079H, GLU887H, GLU977H, GLY896H, GLY897H, HIS1014B, HIS948B, HIS976H, ILE990B, LEU899H, LEU978H, LYS1008B, LYS1013B, LYS1076H, LYS995B, PRO1000B, PRO985B, PRO987B, SER1015B, SER989B, TRP889H, TYR1072H, TYR972H, TYR993B, TYR994B, VAL1069H, VAL986B
• B-P: ALA15P, ALA7P, ALA988B, ARG8P, ASN992B, GLN1016B, GLN5P, ILE990B, LYS4P, LYS995B, LYS998B, PRO16P, PRO987B, PRO991B, SER10P, SER989B, THR11P, THR6P, TYR993B, TYR994B
• C-K: ALA1063C, ALA1065C, ALA1068C, ALA15K, ALA1K, ALA7K, ARG17K, ARG2K, ARG8K, ASN886C, ASN895C, ASP884C, ASP888C, ASP898C, ASP925C, CYS890C, CYS893C, CYS901C, CYS902C, CYS913C, GLN1064C, GLN5K, GLN894C, GLN983C, GLU1061C, GLU887C, GLU903C, GLU977C, GLU981C, GLU984C, GLY1066C, GLY12K, GLY896C, GLY897C, GLY924C, HIS910C, HIS976C, ILE927C, ILE980C, ILE990C, LEU899C, LEU900C, LEU911C, LEU978C, LYS4K, LYS904C, PHE909C, PHE921C, PHE982C, PRO16K, PRO885C, PRO906C, PRO922C, PRO987C, SER1060C, SER10K, SER923C, SER979C, THR11K, THR3K, THR6K, TRP889C, TRP926C, VAL1062C, VAL1069C, VAL908C
• C-D: ALA1049D, ARG1084C, ASP1083C, GLN1046D, GLU1061D, SER1082C, THR1085C
• C-L: ARG1037C, GLU1036C, GLU1040C, LYS1043C, LYS1067C, SER10L, THR11L, VAL1044C
• C-E: ALA1068C, ALA988E, ASP1075C, ASP884C, ASP888C, GLN1016E, GLN894C, GLU1079C, GLU887C, GLU977C, GLY896C, HIS1014E, HIS948E, HIS976C, ILE990E, LEU978C, LYS1013E, LYS1076C, LYS995E, PRO1000E, PRO985E, PRO987E, SER1015E, SER989E, TRP889C, TYR1072C, TYR972C, TYR993E, TYR994E, VAL1069C, VAL986E
• C-H: ALA1049C, ALA1049H, ARG1037C, ARG1037H, ASN1034C, ASN1034H, ASN992C, ASN992H, GLN1046C, GLN1046H, GLU1036C, GLU1036H, GLU1040C, GLU1040H, ILE996C, ILE996H, ILE997C, ILE997H, LYS1033C, LYS1043C, LYS1043H, LYS995C, LYS995H, LYS998C, LYS998H, LYS999C, LYS999H, MET1041C, MET1041H, MET1042C, MET1042H, PHE1038C, PHE1038H, PRO991C, PRO991H, TYR1048C, TYR1048H, TYR993C, TYR993H, TYR994C, TYR994H, VAL1044C, VAL1044H, VAL1045C, VAL1045H, VAL1047C, VAL1047H
• K-E: ALA15K, ALA7K, ALA988E, ARG8K, ASN992E, GLN1016E, GLN5K, ILE990E, ILE996E, ILE997E, LYS4K, LYS995E, LYS998E, PRO16K, PRO987E, PRO991E, SER10K, SER989E, THR11K, THR6K, TYR994E
• D-L: ALA1063D, ALA1065D, ALA15L, ALA1L, ALA7L, ARG17L, ARG2L, ARG8L, ASN886D, ASN895D, ASP884D, ASP888D, ASP898D, ASP925D, CYS890D, CYS893D, CYS901D, CYS902D, CYS905D, GLN1064D, GLN5L, GLN894D, GLN983D, GLU1061D, GLU887D, GLU903D, GLU977D, GLU981D, GLU984D, GLY1066D, GLY12L, GLY13L, GLY896D, GLY897D, GLY924D, HIS910D, HIS976D, ILE927D, ILE980D, ILE990D, LEU899D, LEU900D, LEU911D, LEU978D, LYS4L, LYS904D, LYS907D, PHE909D, PHE921D, PHE982D, PRO16L, PRO885D, PRO906D, PRO922D, PRO987D, SER1060D, SER10L, SER923D, SER979D, THR11L, THR3L, THR6L, TRP889D, TRP926D, VAL1062D, VAL1069D, VAL908D
• D-E: ASN992D, ILE990D, LYS950E, LYS995D, MET1042D, PRO991D, SER949E, SER989D, VAL1045D
• D-F: ALA1068F, ALA988D, ASP1075F, ASP884F, ASP888F, CYS975F, GLN1016D, GLN894F, GLU1079F, GLU887F, GLU977F, GLY896F, HIS1014D, HIS948D, HIS976F, ILE990D, LEU978F, LYS1008D, LYS1009D, LYS1013D, LYS1076F, LYS995D, PRO1000D, PRO906F, PRO985D, PRO987D, SER1015D, SER989D, TRP889F, TYR1072F, TYR972F, TYR993D, TYR994D, VAL1069F, VAL986D
• D-N: ALA15N, ALA7N, ALA988D, ARG8N, ASN992D, GLN1016D, GLN5N, ILE990D, ILE996D, LYS4N, LYS995D, LYS998D, PRO16N, PRO987D, PRO991D, SER10N, SER989D, THR11N, THR6N, TYR993D, TYR994D
• D-H: ALA1068D, ALA988H, ASP1075D, ASP884D, ASP888D, CYS975D, GLN1016H, GLU1079D, GLU887D, GLU977D, GLY896D, HIS1014H, HIS948H, HIS976D, ILE990H, LEU978D, LYS1008H, LYS1013H, LYS1076D, LYS995H, PRO1000H, PRO985H, PRO987H, SER1015H, SER989H, TRP889D, TYR1072D, TYR972D, TYR993H, TYR994H, VAL1069D, VAL986H
• L-H: ALA7L, ALA988H, ARG8L, ASN992H, GLN1016H, GLN5L, GLY12L, ILE990H, ILE996H, ILE997H, LYS4L, LYS995H, LYS998H, PRO16L, PRO987H, PRO991H, SER10L, SER989H, THR11L, THR6L, TYR994H
• E-M: ALA1063E, ALA1065E, 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, LEU899E, LEU900E, LEU911E, LEU978E, LYS4M, LYS904E, LYS907E, PHE909E, PHE921E, PHE982E, PRO16M, PRO885E, PRO906E, PRO922E, PRO987E, SER1060E, SER10M, SER923E, SER979E, THR11M, THR3M, THR6M, TRP889E, TRP926E, VAL1062E, VAL1069E, VAL908E, VAL986E
• E-F: ARG1084E, ARG964E, ASP1083E, ASP898F, ASP962E, GLY897F, GLY935E, ILE934E, LEU899F, LEU911F, LEU919F, LYS936E, LYS965E, PHE921F, PRO922F, PRO937E, PRO960E, SER920F, SER923F, SER959E, THR1085E, THR912F, TYR1081E, VAL961E
• E-N: ALA1N, ALA7N, ARG2N, ARG8N, ARG964E, ASP962E, GLN5N, GLY957E, ILE1020E, LEU946E, LEU958E, LYS1012E, LYS4N, LYS936E, PRO937E, PRO960E, SER949E, SER959E, THR3N, THR6N, VAL961E
• F-N: ALA1063F, ALA1065F, ALA1068F, ALA15N, ALA1N, ALA7N, ARG17N, ARG2N, ARG8N, ASN886F, ASN895F, ASP884F, ASP888F, ASP898F, ASP925F, CYS890F, CYS893F, CYS901F, CYS902F, GLN1064F, GLN5N, GLN894F, GLN983F, GLU1061F, GLU887F, GLU903F, GLU977F, GLU981F, GLU984F, GLY1066F, GLY12N, GLY896F, GLY897F, GLY924F, HIS910F, HIS976F, ILE927F, ILE980F, ILE990F, LEU899F, LEU900F, LEU911F, LEU978F, LYS4N, LYS904F, LYS907F, PHE909F, PHE921F, PHE982F, PRO16N, PRO885F, PRO906F, PRO922F, PRO987F, SER1060F, SER10N, SER923F, SER979F, THR11N, THR3N, THR6N, TRP889F, TRP926F, VAL1062F, VAL1069F, VAL908F, VAL986F
• G-O: ALA1063G, ALA1065G, ALA1068G, ALA15O, ALA1O, ALA7O, ARG17O, ARG2O, ARG8O, ASN886G, ASN895G, ASP884G, ASP888G, ASP898G, ASP925G, CYS890G, CYS893G, CYS901G, CYS902G, CYS905G, CYS913G, GLN1064G, 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, THR11O, THR3O, THR6O, TRP889G, TRP926G, VAL1062G, VAL1069G, VAL892G, VAL908G
• G-H: ALA1049H, ARG1084G, ASP1083G, GLN1046H, SER1082G, THR1078G, THR1085G
• G-P: ARG1037G, GLU1040G, LYS1043G, SER10P
• H-P: ALA1063H, ALA1065H, ALA15P, ALA1P, ALA7P, ARG17P, ARG2P, ARG8P, ASN886H, ASN895H, ASP884H, ASP888H, ASP898H, ASP925H, CYS890H, CYS893H, CYS901H, CYS902H, CYS905H, CYS913H, GLN1064H, GLN5P, GLN894H, GLN983H, GLU1061H, GLU887H, GLU903H, GLU977H, GLU981H, GLU984H, GLY1066H, GLY12P, GLY896H, GLY897H, GLY924H, HIS910H, ILE927H, ILE980H, ILE990H, LEU899H, LEU900H, LEU911H, LEU978H, LYS4P, LYS904H, LYS907H, PHE909H, PHE921H, PHE982H, PRO16P, PRO885H, PRO906H, PRO922H, PRO987H, SER1060H, SER10P, SER923H, SER979H, THR11P, THR3P, THR6P, TRP889H, TRP926H, VAL1062H, VAL1069H, VAL892H, VAL908H, VAL986H