3I3J

crystal structure of the bromodomain of human ep300

• Total interactions analyzed: 66
• Total true interactions: 26
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 75
  • Norm. En. per Res.: -3.858
• Hub Node: A(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-C	-29.667	-50.7979	-208.885	-289.3499	75	14	5	9082	4	18	13
A-E	-21.5042	-62.3064	33.0085	-50.8021	42	20	0	3146	2	17	12
A-G	0.0	-24.6769	-55.3861	-80.063	33	4	0	2146	0	15	8
A-I	-17.4029	-24.1933	-49.3616	-90.9578	29	3	0	2123	2	18	26
A-K	0.0	0.0	-25.7628	-25.7628	32	5	0	1133	0	4	4
B-D	0.0	0.0	-4.2684	-4.2684	14	0	0	449	0	6	12
B-H	0.0	-31.9375	-43.4156	-75.3531	32	11	0	2263	2	13	4
B-I	0.0	-18.4264	-32.3628	-50.7892	27	5	0	1798	0	12	2
B-K	-4.7246	-14.2331	-7.653	-26.6107	28	1	0	722	2	14	6
C-I	0.0	0.0	-11.4579	-11.4579	24	0	0	514	0	4	2
C-K	-4.969	-1.0582	-27.0809	-33.1081	26	1	0	1513	0	16	20
D-F	0.0	5.7008	-0.8941	4.8067	12	0	0	185	0	10	13
D-G	0.0	-2.1957	-28.1436	-30.3393	33	0	0	1527	0	12	12
D-H	0.0	10.1053	-69.2991	-59.1938	57	1	0	3142	0	23	9
D-J	-54.6729	-39.2568	-160.553	-254.4827	72	22	5	8399	0	18	13
D-K	-15.7005	3.1105	-93.0906	-105.6805	63	13	0	4031	0	12	18
E-G	-30.9512	-48.8721	-176.812	-256.6354	75	10	4	8246	2	18	13
E-L	0.0	8.4489	-1.1948	7.2541	10	0	0	230	0	10	12
F-H	-30.8461	-40.6552	-159.222	-230.7233	71	11	5	7900	0	18	14
F-J	-9.9031	11.1003	-90.1295	-88.9323	64	11	0	4075	0	23	12
G-J	0.0	-24.675	-59.185	-83.8601	22	1	0	1930	1	10	2
G-K	0.0	-5.0565	-5.3179	-10.3744	14	0	0	277	0	9	4
G-L	-19.8907	9.1296	-90.5567	-101.3177	60	7	0	3697	0	24	8
H-J	0.0	7.8598	-0.2877	7.5721	7	0	0	82	0	8	10
I-K	-24.6397	-40.8244	-207.433	-272.8972	77	26	5	9409	1	19	14
J-L	0.0	0.0	-2.9424	-2.9424	10	0	0	333	0	5	7

Interface residues

• A-C: ALA1064A, ALA1064C, ARG1055A, ARG1055C, ARG1067A, ARG1067C, ARG1076A, ARG1076C, ARG1104A, ARG1104C, ARG1137A, ARG1137C, ASP1069A, ASP1069C, ASP1080A, ASP1080C, ASP1107A, ASP1107C, GLN1068A, GLN1068C, GLN1077A, GLN1077C, GLN1082A, GLN1082C, GLU1063A, GLU1063C, GLY1085A, GLY1085C, ILE1086A, ILE1086C, ILE1102C, LEU1062A, LEU1062C, LEU1065A, LEU1065C, LEU1073A, LEU1073C, LEU1083A, LEU1083C, LEU1084A, LEU1084C, LEU1099A, LEU1099C, LEU1106A, LEU1106C, LYS1103A, LYS1103C, MET1059A, MET1059C, PHE1075A, PHE1075C, PRO1060A, PRO1060C, PRO1070A, PRO1070C, PRO1074A, PRO1074C, PRO1078A, PRO1078C, PRO1081A, PRO1081C, PRO1087A, PRO1087C, SER1072A, SER1072C, SER1100A, SER1100C, TYR1066A, TYR1066C, TYR1141A, TYR1141C, VAL1079A, VAL1079C, VAL1138A, VAL1138C
• A-E: ARG1133E, ARG1137E, ASN1126A, ASP1069E, ASP1119A, ASP1120A, ASP1154A, CYS1142A, GLN1151A, GLN1158A, GLU1147A, GLU1147E, GLU1150A, ILE1121A, LEU1123A, LEU1145A, LYS1134A, LYS1134E, LYS1140A, LYS1140E, LYS1144A, LYS1144E, MET1124A, MET1157A, PHE1125A, PHE1149A, PRO1070E, SER1136E, SER1143A, SER1143E, SER1146A, THR1135E, TRP1115A, TRP1122A, TRP1129A, TYR1139A, TYR1139E, TYR1141A, TYR1141E, VAL1118A, VAL1138E, VAL1148A
• A-G: ARG1133G, ARG1137G, ASN1126A, ASP1069G, ASP1119A, CYS1142G, GLN1068G, GLN1110A, GLN1112A, GLN1116A, GLU1113A, ILE1048A, LEU1123A, LYS1047A, LYS1094A, LYS1134G, LYS1140G, LYS1144G, MET1157A, PHE1049A, PRO1070G, PRO1114A, SER1095A, SER1136G, THR1135G, TRP1115A, TRP1122A, TYR1111A, TYR1117A, TYR1139G, TYR1141G, VAL1118A, VAL1138G
• A-I: ALA1057I, ARG1055A, ARG1055I, ARG1104A, ARG1104I, ASP1107A, ASP1107I, GLN1056A, GLN1056I, GLN1110A, GLU1052A, GLU1052I, GLU1053A, GLU1053I, GLU1063I, GLY1109A, GLY1109I, LEU1106A, LEU1106I, LYS1050A, LYS1103A, LYS1103I, MET1059A, MET1059I, PRO1051A, PRO1051I, SER1100A, THR1108A, THR1108I
• A-K: ARG1055A, ARG1104A, ASP1080A, ASP1080K, ASP1088K, ASP1091K, ASP1107A, ASP1107K, GLN1082A, GLN1082K, GLN1110A, GLN1110K, GLN1112A, GLN1112K, GLY1109A, GLY1109K, LEU1083A, LEU1083K, LEU1106A, LYS1105A, PHE1090A, PHE1090K, PRO1051A, PRO1051K, PRO1081A, PRO1081K, PRO1087A, PRO1087K, PRO1096A, PRO1096K, THR1108A, THR1108K
• B-D: ARG1133B, ASP1091D, GLN1151B, GLU1147B, LYS1094D, LYS1134B, LYS1140B, PHE1090D, SER1095D, SER1136B, SER1143B, THR1135B, TRP1115D, TYR1139B
• B-H: ARG1133B, ARG1137B, ASN1126H, ASP1069B, ASP1119H, ASP1120H, GLN1068B, GLN1110H, GLN1112H, GLN1116H, GLU1113H, ILE1048H, LEU1123H, LYS1094H, LYS1134B, LYS1140B, LYS1144B, MET1157H, PHE1049H, PRO1070B, PRO1114H, SER1095H, SER1136B, THR1135B, TRP1115H, TRP1122H, TYR1111H, TYR1117H, TYR1139B, TYR1141B, VAL1118H, VAL1138B
• B-I: ARG1133I, ARG1137I, ASN1126B, ASP1119B, GLN1110B, GLN1112B, GLN1116B, GLU1113B, ILE1048B, LYS1094B, LYS1134I, LYS1140I, LYS1144I, MET1157B, PHE1049B, PRO1070I, PRO1114B, SER1095B, SER1136I, THR1135I, TRP1115B, TRP1122B, TYR1111B, TYR1139I, TYR1141I, VAL1118B, VAL1138I
• B-K: ARG1133K, ARG1137K, ASN1126B, ASP1069K, ASP1119B, ASP1154B, GLN1068K, GLN1158B, GLU1147B, GLU1147K, GLU1150B, GLY1161B, LYS1134K, LYS1140K, LYS1144K, MET1157B, PRO1070K, PRO1155B, SER1136K, SER1143B, SER1146B, THR1135K, TRP1115B, TRP1122B, TRP1129B, TYR1139B, TYR1141K, VAL1118B
• C-I: ARG1055I, ARG1104I, ASP1080C, ASP1080I, ASP1091C, ASP1107I, GLN1082C, GLN1082I, GLN1110C, GLN1110I, GLN1112I, GLY1109I, LEU1083C, LEU1083I, LEU1106I, LYS1105I, PHE1090C, PHE1090I, PRO1051I, PRO1081C, PRO1087C, PRO1096C, THR1108C, THR1108I
• C-K: ARG1055C, ARG1055K, ARG1104C, ARG1104K, ASP1107C, ASP1107K, GLN1056C, GLN1056K, GLN1110K, GLU1052C, GLU1052K, GLU1053C, GLU1053K, GLY1109C, GLY1109K, LEU1106C, LEU1106K, LYS1103C, LYS1103K, LYS1105K, MET1059C, MET1059K, PRO1051C, PRO1051K, THR1108C, THR1108K
• D-F: ARG1055D, ARG1055F, ARG1104D, ARG1104F, ASP1107D, ASP1107F, GLU1052D, LYS1103D, LYS1103F, MET1059D, THR1108D, THR1108F
• D-G: ARG1133D, ARG1137D, ASN1126G, ASP1069D, ASP1119G, ASP1154G, CYS1142G, GLN1068D, GLN1158G, GLU1147D, GLU1147G, GLU1150G, ILE1153G, LEU1123G, LEU1130G, LYS1134D, LYS1134G, LYS1140D, LYS1144D, MET1157G, PHE1125G, PRO1070D, SER1136D, SER1143D, SER1143G, SER1146G, THR1135D, TRP1115G, TRP1122G, TRP1129G, TYR1139G, TYR1141D, VAL1118G
• D-H: ARG1055D, ARG1055H, ARG1104D, ARG1104H, ASP1080D, ASP1080H, ASP1088H, ASP1091D, ASP1091H, ASP1107D, ASP1107H, GLN1082D, GLN1082H, GLN1110D, GLN1110H, GLN1112D, GLN1112H, GLN1116D, GLN1116H, GLU1052D, GLY1109D, GLY1109H, ILE1092D, ILE1092H, LEU1083D, LEU1083H, LYS1094D, LYS1094H, LYS1105D, LYS1105H, MET1097D, MET1097H, PHE1090D, PHE1090H, PRO1051D, PRO1051H, PRO1078D, PRO1078H, PRO1081D, PRO1081H, PRO1087D, PRO1087H, PRO1096D, PRO1096H, SER1095D, SER1095H, THR1101H, THR1108D, THR1108H, TYR1089D, TYR1089H, TYR1111D, TYR1111H, VAL1079D, VAL1079H, VAL1093D, VAL1093H
• D-J: ALA1064D, ALA1064J, ARG1067D, ARG1067J, ARG1076D, ARG1076J, ARG1104D, ARG1137D, ARG1137J, ASP1069D, ASP1069J, ASP1080D, ASP1080J, ASP1107D, GLN1068D, GLN1068J, GLN1077D, GLN1077J, GLN1082D, GLN1082J, GLU1063D, GLU1063J, GLY1085D, GLY1085J, ILE1086D, ILE1086J, LEU1062D, LEU1062J, LEU1065D, LEU1065J, LEU1073D, LEU1073J, LEU1083D, LEU1083J, LEU1084D, LEU1084J, LEU1099D, LEU1099J, LEU1106D, LEU1106J, LYS1103D, LYS1103J, MET1059D, MET1059J, PHE1075D, PHE1075J, PRO1060D, PRO1060J, PRO1070D, PRO1070J, PRO1074D, PRO1074J, PRO1078D, PRO1078J, PRO1081D, PRO1081J, PRO1087D, PRO1087J, SER1072D, SER1072J, SER1100D, SER1100J, SER1136D, SER1136J, TYR1066D, TYR1066J, TYR1141D, TYR1141J, VAL1079D, VAL1079J, VAL1138D, VAL1138J
• D-K: ALA1128K, ARG1133D, ARG1133K, ASN1126D, ASN1126K, ASN1127D, ASN1132D, ASN1132K, ASP1088K, ASP1091D, ASP1091K, ASP1119D, ASP1120D, ASP1154D, ASP1154K, CYS1142D, GLN1151K, GLN1158D, GLU1147D, GLU1147K, GLU1150D, GLU1150K, ILE1092D, ILE1092K, ILE1121D, ILE1153D, ILE1153K, LEU1123D, LEU1130D, LEU1130K, LYS1094D, LYS1094K, LYS1134D, LYS1134K, MET1097D, MET1124D, MET1157D, MET1157K, PHE1090K, PHE1125D, PHE1125K, PRO1155K, SER1095D, SER1136K, SER1143D, SER1143K, SER1146D, SER1146K, THR1135D, THR1135K, TRP1115D, TRP1122D, TRP1122K, TRP1129D, TRP1129K, TYR1089K, TYR1131K, TYR1139D, TYR1139K, VAL1093D, VAL1093K, VAL1118D, VAL1118K
• E-G: ALA1064E, ALA1064G, ARG1055E, ARG1055G, ARG1067E, ARG1067G, ARG1076E, ARG1076G, ARG1104E, ARG1104G, ARG1137E, ARG1137G, ASP1069E, ASP1069G, ASP1080E, ASP1080G, ASP1107E, ASP1107G, GLN1068E, GLN1068G, GLN1077E, GLN1077G, GLN1082E, GLN1082G, GLU1063E, GLU1063G, GLY1085E, GLY1085G, ILE1086E, ILE1086G, ILE1102E, LEU1062E, LEU1062G, LEU1065E, LEU1065G, LEU1073E, LEU1073G, LEU1083E, LEU1083G, LEU1084E, LEU1084G, LEU1099E, LEU1099G, LEU1106E, LEU1106G, LYS1103E, LYS1103G, MET1059E, MET1059G, PHE1075E, PHE1075G, PRO1060E, PRO1060G, PRO1070E, PRO1070G, PRO1074E, PRO1074G, PRO1078E, PRO1078G, PRO1081E, PRO1081G, PRO1087E, PRO1087G, SER1072E, SER1072G, SER1100E, SER1100G, TYR1066E, TYR1066G, TYR1141E, TYR1141G, VAL1079E, VAL1079G, VAL1138E, VAL1138G
• E-L: ARG1055E, ARG1055L, ARG1104L, ASP1107E, ASP1107L, GLU1052E, LYS1103E, LYS1103L, THR1108E, THR1108L
• F-H: ALA1064F, ALA1064H, ARG1055F, ARG1055H, ARG1067F, ARG1067H, ARG1076F, ARG1076H, ARG1104H, ARG1137F, ARG1137H, ASP1069F, ASP1069H, ASP1080F, ASP1080H, ASP1107H, GLN1068F, GLN1068H, GLN1077F, GLN1077H, GLN1082F, GLN1082H, GLU1063F, GLU1063H, GLY1085F, GLY1085H, ILE1086F, ILE1086H, LEU1062F, LEU1062H, LEU1065F, LEU1065H, LEU1073F, LEU1073H, LEU1083F, LEU1083H, LEU1084F, LEU1084H, LEU1099F, LEU1099H, LEU1106F, LEU1106H, LYS1103F, LYS1103H, MET1059F, MET1059H, PHE1075F, PHE1075H, PRO1060F, PRO1060H, PRO1070F, PRO1070H, PRO1074F, PRO1074H, PRO1078F, PRO1078H, PRO1081F, PRO1081H, PRO1087F, SER1072F, SER1072H, SER1100F, SER1100H, TYR1066F, TYR1066H, TYR1141F, TYR1141H, VAL1079F, VAL1079H, VAL1138F, VAL1138H
• F-J: ARG1055F, ARG1055J, ARG1104F, ARG1104J, ASN1127F, ASP1080F, ASP1080J, ASP1088F, ASP1088J, ASP1091F, ASP1091J, ASP1098F, ASP1107F, ASP1107J, GLN1082F, GLN1082J, GLN1110F, GLN1110J, GLN1112F, GLN1112J, GLN1116F, GLN1116J, GLU1052F, GLU1052J, GLY1109F, GLY1109J, ILE1048J, ILE1092F, ILE1092J, LEU1083F, LEU1083J, LEU1106F, LEU1106J, LYS1094F, LYS1094J, LYS1105F, LYS1105J, MET1097F, MET1097J, PHE1090F, PHE1090J, PRO1051F, PRO1051J, PRO1078F, PRO1078J, PRO1081F, PRO1081J, PRO1087F, PRO1087J, PRO1096F, PRO1096J, SER1095F, SER1095J, THR1101F, THR1108F, THR1108J, TYR1089F, TYR1089J, TYR1111F, TYR1111J, VAL1079F, VAL1079J, VAL1093F, VAL1093J
• G-J: ARG1133J, ARG1137J, ASN1126G, ASP1119G, GLN1112G, GLN1116G, GLU1113G, ILE1048G, LYS1134J, LYS1140J, MET1157G, PHE1049G, PRO1070J, PRO1114G, SER1136J, THR1135J, TRP1115G, TYR1111G, TYR1139J, TYR1141J, VAL1118G, VAL1138J
• G-K: ASP1091K, GLN1151G, GLU1147G, GLU1150G, LYS1094K, LYS1134G, LYS1140G, LYS1144G, PHE1090K, SER1095K, SER1143G, SER1146G, THR1135G, TYR1139G
• G-L: ARG1055L, ARG1104G, ARG1104L, ASN1127G, ASN1127L, ASP1080G, ASP1080L, ASP1088G, ASP1088L, ASP1091G, ASP1091L, ASP1107G, ASP1107L, GLN1082G, GLN1082L, GLN1110G, GLN1110L, GLN1112G, GLN1112L, GLN1116G, GLN1116L, GLU1113G, GLU1113L, GLY1109G, GLY1109L, ILE1092G, ILE1092L, LEU1083G, LEU1083L, LYS1094G, LYS1094L, LYS1105G, LYS1105L, MET1097G, MET1097L, PHE1090G, PHE1090L, PRO1051G, PRO1051L, PRO1078G, PRO1078L, PRO1081G, PRO1081L, PRO1087G, PRO1087L, PRO1096G, PRO1096L, SER1095G, SER1095L, THR1101G, THR1108G, THR1108L, TYR1089G, TYR1089L, TYR1111G, TYR1111L, VAL1079G, VAL1079L, VAL1093G, VAL1093L
• H-J: ARG1104H, ASP1107H, ASP1107J, LYS1103H, LYS1103J, THR1108H, THR1108J
• I-K: ALA1064I, ALA1064K, ARG1055I, ARG1055K, ARG1067I, ARG1067K, ARG1076I, ARG1076K, ARG1104I, ARG1104K, ARG1137I, ARG1137K, ASP1069I, ASP1069K, ASP1080I, ASP1080K, ASP1107I, ASP1107K, GLN1068I, GLN1068K, GLN1077I, GLN1077K, GLN1082I, GLN1082K, GLU1063I, GLU1063K, GLY1085I, GLY1085K, ILE1086I, ILE1086K, ILE1102I, LEU1062I, LEU1062K, LEU1065I, LEU1065K, LEU1073I, LEU1073K, LEU1083I, LEU1083K, LEU1084I, LEU1084K, LEU1099I, LEU1099K, LEU1106I, LEU1106K, LYS1103I, LYS1103K, MET1059I, MET1059K, PHE1075I, PHE1075K, PRO1060I, PRO1060K, PRO1070I, PRO1070K, PRO1074I, PRO1074K, PRO1078I, PRO1078K, PRO1081I, PRO1081K, PRO1087I, PRO1087K, SER1072I, SER1072K, SER1100I, SER1100K, SER1136I, SER1136K, TYR1066I, TYR1066K, TYR1141I, TYR1141K, VAL1079I, VAL1079K, VAL1138I, VAL1138K
• J-L: ASP1091L, GLN1151J, LYS1094L, LYS1134J, LYS1140J, PHE1090L, SER1143J, THR1135J, TRP1115L, TYR1139J