2OEC

crystal structure of the uridine phosphorylase from salmonella typhimurium in complex with 2,2'-anhydrouridine and potassium ion at 2.194a resolution

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 190
  • Norm. En. per Res.: -3.688
• Hub Node: A(4)

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	-82.9518	8.0521	-625.827	-700.7267	190	23	10	23425	0	60	52
A-C	-21.6307	-2.2729	-313.458	-337.3616	118	4	14	12468	1	9	15
A-D	-27.0641	-25.3596	-43.7315	-96.1552	28	4	0	1714	0	9	10
A-F	-23.2145	-26.2395	-42.5048	-91.9588	28	4	0	1688	1	9	10
B-C	-19.3697	-23.821	-39.9272	-83.1179	28	2	0	1674	1	9	10
B-E	-20.3959	-25.2896	-42.413	-88.0985	29	3	0	1636	1	9	10
B-F	-21.1237	0.1437	-311.719	-332.699	117	4	12	12095	0	9	15
C-D	-66.4956	26.5154	-612.943	-652.9232	187	26	10	23020	0	56	50
C-E	-19.1601	-23.1486	-40.2672	-82.5759	28	3	0	1645	0	9	10
D-E	-25.4932	-4.7742	-305.515	-335.7824	116	7	14	12103	2	10	15
D-F	-30.6459	-22.8849	-36.893	-90.4237	28	4	0	1591	0	9	10
E-F	-78.5374	13.1913	-613.099	-678.4451	196	26	11	23738	0	62	57

Interface residues

• A-B: ALA1077A, ALA1077B, ALA1082A, ALA1082B, ALA1119A, ALA1119B, ALA1124A, ALA1124B, ALA1207A, ALA1207B, ARG1030A, ARG1030B, ARG1048A, ARG1048B, ARG1087A, ARG1087B, ARG1091A, ARG1091B, ARG1115A, ARG1115B, ARG1168A, ARG1168B, ARG1175A, ARG1175B, ARG1178A, ARG1178B, ARG1179A, ARG1179B, ARG1212A, ARG1212B, ASP1005A, ASP1027A, ASP1027B, ASP1117A, ASP1117B, ASP1160A, ASP1160B, ASP1170A, ASP1170B, CYS1206A, CYS1206B, GLN1083A, GLN1083B, GLN1166A, GLN1166B, GLN1209A, GLN1209B, GLU1029A, GLU1029B, GLU1049A, GLU1049B, GLU1079A, GLU1079B, GLU1080A, GLU1080B, GLU1167A, GLU1167B, GLU1198A, GLU1198B, GLU1238A, GLU1238B, GLY1026A, GLY1026B, GLY1068A, GLY1068B, GLY1070A, GLY1070B, GLY1071A, GLY1071B, GLY1085A, GLY1085B, GLY1093A, GLY1093B, GLY1118A, GLY1118B, GLY1165A, GLY1165B, GLY1174A, GLY1174B, GLY1210A, GLY1210B, HIS1008A, HIS1008B, HIS1047A, HIS1047B, HIS1122A, HIS1122B, ILE1069A, ILE1069B, ILE1076A, ILE1076B, ILE1086A, ILE1086B, ILE1220A, ILE1220B, ILE1228A, LEU1009A, LEU1009B, LEU1081A, LEU1081B, LEU1084A, LEU1084B, LEU1116A, LEU1116B, LEU1121A, LEU1121B, LEU1211A, LEU1211B, LYS1013A, MET1126A, MET1126B, MET1197A, MET1197B, MET1205A, MET1205B, MET1234A, PHE1007A, PHE1007B, PHE1050A, PHE1050B, PHE1089A, PHE1089B, PHE1123A, PHE1123B, PHE1128A, PHE1128B, PHE1162A, PHE1162B, PHE1180A, PHE1180B, PRO1025A, PRO1025B, PRO1028A, PRO1028B, PRO1072A, PRO1072B, PRO1125A, PRO1125B, PRO1164A, PRO1164B, SER1046A, SER1046B, SER1066A, SER1066B, SER1073A, SER1073B, SER1075A, SER1075B, SER1120A, SER1120B, SER1158A, SER1158B, SER1159A, SER1159B, SER1173A, SER1173B, SER1208A, SER1208B, THR1067A, THR1067B, THR1074A, THR1074B, THR1094A, THR1094B, THR1161A, THR1161B, THR1171A, THR1171B, THR1201A, THR1201B, THR1204A, THR1204B, TYR1163A, TYR1163B, TYR1169A, TYR1169B, TYR1172A, TYR1172B, TYR1195A, TYR1195B, VAL1006A, VAL1006B, VAL1078A, VAL1078B, VAL1176A, VAL1176B, VAL1177A, VAL1177B, VAL1221A, VAL1221B
• A-C: ALA1112A, ALA1112C, ALA1124A, ALA1124C, ALA1130A, ALA1130C, ALA1132A, ALA1132C, ALA1135A, ALA1135C, ALA1139A, ALA1139C, ALA1157A, ALA1157C, ALA1189A, ALA1189C, ALA1200A, ALA1200C, ALA1207A, ALA1207C, ARG1115A, ARG1115C, ARG1179A, ARG1179C, ASP1117A, ASP1117C, ASP1133A, ASP1133C, CYS1136A, CYS1136C, CYS1206A, CYS1206C, GLN1209A, GLN1209C, GLU1127A, GLU1127C, GLU1142A, GLU1142C, GLU1186A, GLU1186C, GLY1154A, GLY1154C, GLY1191A, GLY1191C, GLY1210A, GLY1210C, HIS1122A, HIS1122C, LEU1116A, LEU1116C, LEU1121A, LEU1121C, LEU1140A, LEU1140C, LEU1203A, LEU1203C, LEU1211A, LEU1211C, LYS1145A, LYS1145C, MET1126A, MET1126C, MET1190A, MET1190C, MET1193A, MET1193C, MET1205A, PHE1123A, PHE1123C, PHE1128A, PHE1128C, PHE1134A, PHE1134C, PHE1180A, PHE1180C, PRO1125A, PRO1125C, PRO1129A, PRO1129C, SER1113A, SER1113C, SER1120A, SER1120C, SER1158A, SER1158C, SER1183A, SER1183C, SER1208A, SER1208C, THR1110A, THR1110C, THR1111A, THR1111C, THR1137A, THR1137C, THR1138A, THR1138C, THR1151A, THR1156A, THR1156C, THR1204A, THR1204C, TRP1187A, TRP1187C, VAL1109A, VAL1109C, VAL1114A, VAL1114C, VAL1131A, VAL1131C, VAL1141A, VAL1141C, VAL1153A, VAL1153C, VAL1155A, VAL1155C, VAL1192A, VAL1192C
• A-D: ALA1189A, ARG1175D, ARG1178A, ARG1178D, ARG1179A, ARG1179D, GLN1188A, GLU1127A, GLU1167A, GLU1185A, GLU1186A, GLY1182A, GLY1191A, HIS1122D, LEU1121D, LYS1181A, LYS1181D, MET1184A, MET1190A, PHE1180A, PHE1180D, SER1173D, SER1183A, TRP1187A, VAL1176A, VAL1176D, VAL1177A, VAL1177D
• A-F: ALA1189F, ARG1175A, ARG1178A, ARG1178F, ARG1179A, ARG1179F, GLN1188F, GLU1127F, GLU1167F, GLU1185F, GLU1186F, GLY1182F, GLY1191F, HIS1122A, LEU1121A, LYS1181A, LYS1181F, MET1184F, MET1190F, PHE1180A, PHE1180F, SER1173A, SER1183F, TRP1187F, VAL1176A, VAL1176F, VAL1177A, VAL1177F
• B-C: ALA1189C, ARG1175B, ARG1178B, ARG1178C, ARG1179B, ARG1179C, GLN1188C, GLU1127C, GLU1167C, GLU1185C, GLU1186C, GLY1182C, GLY1191C, HIS1122B, LEU1121B, LYS1181B, LYS1181C, MET1184C, MET1190C, PHE1180B, PHE1180C, SER1173B, SER1183C, TRP1187C, VAL1176B, VAL1176C, VAL1177B, VAL1177C
• B-E: ALA1189B, ARG1175E, ARG1178B, ARG1178E, ARG1179B, ARG1179E, GLN1188B, GLU1127B, GLU1167B, GLU1185B, GLU1186B, GLY1182B, GLY1191B, HIS1122E, LEU1121E, LYS1181B, LYS1181E, MET1184B, MET1190B, PHE1180B, PHE1180E, SER1173E, SER1183B, TRP1187B, VAL1176B, VAL1176E, VAL1177B, VAL1177E, VAL1192B
• B-F: ALA1112B, ALA1112F, ALA1124B, ALA1124F, ALA1130B, ALA1130F, ALA1132B, ALA1132F, ALA1135B, ALA1135F, ALA1139B, ALA1139F, ALA1157B, ALA1157F, ALA1189B, ALA1189F, ALA1200B, ALA1200F, ALA1207B, ALA1207F, ARG1115B, ARG1115F, ARG1179B, ARG1179F, ASP1117B, ASP1117F, ASP1133B, ASP1133F, CYS1136B, CYS1136F, CYS1206B, CYS1206F, GLN1209B, GLN1209F, GLU1127B, GLU1127F, GLU1142B, GLU1142F, GLU1186B, GLU1186F, GLY1154B, GLY1154F, GLY1191B, GLY1191F, GLY1210B, GLY1210F, HIS1122B, HIS1122F, LEU1116B, LEU1116F, LEU1121B, LEU1121F, LEU1140B, LEU1140F, LEU1203B, LEU1203F, LEU1211B, LEU1211F, LYS1145B, LYS1145F, MET1126B, MET1126F, MET1190B, MET1190F, MET1193B, MET1193F, MET1205F, PHE1123B, PHE1123F, PHE1128B, PHE1128F, PHE1134B, PHE1134F, PHE1180B, PHE1180F, PRO1125B, PRO1125F, PRO1129B, PRO1129F, SER1113B, SER1113F, SER1120B, SER1120F, SER1158B, SER1158F, SER1183B, SER1183F, SER1208B, SER1208F, THR1110B, THR1110F, THR1111B, THR1111F, THR1137B, THR1137F, THR1138B, THR1138F, THR1156B, THR1156F, THR1204B, THR1204F, TRP1187B, TRP1187F, VAL1109B, VAL1109F, VAL1114B, VAL1114F, VAL1131B, VAL1131F, VAL1141B, VAL1141F, VAL1153B, VAL1153F, VAL1155B, VAL1155F, VAL1192B, VAL1192F
• C-D: ALA1077C, ALA1077D, ALA1082C, ALA1082D, ALA1119C, ALA1119D, ALA1124C, ALA1124D, ALA1207C, ALA1207D, ARG1030C, ARG1030D, ARG1048C, ARG1048D, ARG1087C, ARG1087D, ARG1091C, ARG1091D, ARG1115C, ARG1115D, ARG1168C, ARG1168D, ARG1175C, ARG1175D, ARG1178C, ARG1178D, ARG1179C, ARG1179D, ARG1212C, ARG1212D, ASP1005C, ASP1027C, ASP1027D, ASP1117C, ASP1117D, ASP1160C, ASP1160D, ASP1170C, ASP1170D, CYS1206C, CYS1206D, GLN1083C, GLN1083D, GLN1166C, GLN1166D, GLN1209C, GLN1209D, GLU1029C, GLU1029D, GLU1049C, GLU1049D, GLU1079C, GLU1079D, GLU1080C, GLU1080D, GLU1167C, GLU1167D, GLU1198C, GLU1198D, GLY1026C, GLY1026D, GLY1068C, GLY1068D, GLY1070C, GLY1070D, GLY1071C, GLY1071D, GLY1085C, GLY1085D, GLY1093C, GLY1093D, GLY1118C, GLY1118D, GLY1165C, GLY1165D, GLY1174C, GLY1174D, GLY1210C, GLY1210D, HIS1008C, HIS1008D, HIS1047C, HIS1047D, HIS1122C, HIS1122D, ILE1069C, ILE1069D, ILE1076C, ILE1076D, ILE1086C, ILE1086D, ILE1220C, ILE1220D, LEU1009C, LEU1009D, LEU1081C, LEU1081D, LEU1084C, LEU1084D, LEU1116C, LEU1116D, LEU1121C, LEU1121D, LEU1211C, LEU1211D, LYS1013C, MET1126C, MET1126D, MET1197C, MET1197D, MET1205C, MET1205D, MET1234C, MET1234D, PHE1007C, PHE1007D, PHE1050C, PHE1050D, PHE1089C, PHE1089D, PHE1123C, PHE1123D, PHE1128C, PHE1128D, PHE1162C, PHE1162D, PHE1180C, PHE1180D, PRO1025C, PRO1025D, PRO1028C, PRO1028D, PRO1072C, PRO1072D, PRO1125C, PRO1125D, PRO1164C, PRO1164D, SER1046D, SER1066C, SER1066D, SER1073C, SER1073D, SER1075C, SER1075D, SER1120C, SER1120D, SER1158C, SER1158D, SER1159C, SER1159D, SER1173C, SER1173D, SER1208C, SER1208D, THR1067C, THR1067D, THR1074C, THR1074D, THR1094C, THR1094D, THR1161C, THR1161D, THR1171C, THR1171D, THR1201C, THR1201D, THR1204C, THR1204D, TYR1163C, TYR1163D, TYR1169C, TYR1169D, TYR1172C, TYR1172D, TYR1195C, TYR1195D, VAL1006C, VAL1006D, VAL1078C, VAL1078D, VAL1176C, VAL1176D, VAL1177C, VAL1177D, VAL1221C, VAL1221D
• C-E: ALA1189E, ARG1175C, ARG1178C, ARG1178E, ARG1179C, ARG1179E, GLN1188E, GLU1127E, GLU1167E, GLU1185E, GLU1186E, GLY1182E, GLY1191E, HIS1122C, LEU1121C, LYS1181C, LYS1181E, MET1184E, MET1190E, PHE1180C, PHE1180E, SER1173C, SER1183E, TRP1187E, VAL1176C, VAL1176E, VAL1177C, VAL1177E
• D-E: ALA1112D, ALA1112E, ALA1124D, ALA1124E, ALA1130D, ALA1130E, ALA1132D, ALA1132E, ALA1135D, ALA1135E, ALA1139D, ALA1139E, ALA1157D, ALA1157E, ALA1189D, ALA1189E, ALA1200D, ALA1200E, ALA1207D, ALA1207E, ARG1115D, ARG1115E, ARG1179D, ARG1179E, ASP1117D, ASP1117E, ASP1133D, ASP1133E, CYS1136D, CYS1136E, CYS1206D, CYS1206E, GLN1209D, GLN1209E, GLU1127D, GLU1127E, GLU1142D, GLU1142E, GLU1186D, GLU1186E, GLY1154D, GLY1154E, GLY1191D, GLY1191E, GLY1210D, GLY1210E, HIS1122D, HIS1122E, LEU1116D, LEU1116E, LEU1121D, LEU1121E, LEU1140D, LEU1140E, LEU1203D, LEU1203E, LEU1211D, LEU1211E, LYS1145D, LYS1145E, MET1126D, MET1126E, MET1190D, MET1190E, MET1193D, PHE1123D, PHE1123E, PHE1128D, PHE1128E, PHE1134D, PHE1134E, PHE1180D, PHE1180E, PRO1125D, PRO1125E, PRO1129D, PRO1129E, SER1113D, SER1113E, SER1120D, SER1120E, SER1158D, SER1158E, SER1183D, SER1183E, SER1208D, SER1208E, THR1110D, THR1110E, THR1111D, THR1111E, THR1137D, THR1137E, THR1138D, THR1138E, THR1151E, THR1156D, THR1156E, THR1204D, THR1204E, TRP1187D, TRP1187E, VAL1109D, VAL1109E, VAL1114D, VAL1114E, VAL1131D, VAL1131E, VAL1141D, VAL1141E, VAL1153D, VAL1153E, VAL1155D, VAL1155E, VAL1192D, VAL1192E
• D-F: ALA1189D, ARG1175F, ARG1178D, ARG1178F, ARG1179D, ARG1179F, GLN1188D, GLU1127D, GLU1167D, GLU1185D, GLU1186D, GLY1182D, GLY1191D, HIS1122F, LEU1121F, LYS1181D, LYS1181F, MET1184D, MET1190D, PHE1180D, PHE1180F, SER1173F, SER1183D, TRP1187D, VAL1176D, VAL1176F, VAL1177D, VAL1177F
• E-F: ALA1077E, ALA1077F, ALA1082E, ALA1082F, ALA1119E, ALA1119F, ALA1124E, ALA1124F, ALA1207E, ALA1207F, ALA1231F, ARG1030E, ARG1030F, ARG1048E, ARG1048F, ARG1087E, ARG1087F, ARG1091E, ARG1091F, ARG1115E, ARG1115F, ARG1168E, ARG1168F, ARG1175E, ARG1175F, ARG1178E, ARG1178F, ARG1179E, ARG1179F, ARG1212F, ASN1230F, ASP1005E, ASP1027E, ASP1027F, ASP1117E, ASP1117F, ASP1160E, ASP1160F, ASP1170E, ASP1170F, CYS1206E, CYS1206F, GLN1083E, GLN1083F, GLN1166E, GLN1166F, GLN1209E, GLN1209F, GLU1029E, GLU1029F, GLU1049E, GLU1049F, GLU1079E, GLU1079F, GLU1080E, GLU1080F, GLU1167E, GLU1167F, GLU1198E, GLU1198F, GLU1227F, GLU1232F, GLU1238E, GLY1026E, GLY1026F, GLY1068E, GLY1068F, GLY1070E, GLY1070F, GLY1071E, GLY1071F, GLY1085E, GLY1085F, GLY1093E, GLY1093F, GLY1118E, GLY1118F, GLY1165E, GLY1165F, GLY1174E, GLY1174F, GLY1210E, GLY1210F, HIS1008E, HIS1008F, HIS1047E, HIS1047F, HIS1122E, HIS1122F, ILE1069E, ILE1069F, ILE1076E, ILE1076F, ILE1086E, ILE1086F, ILE1220E, ILE1220F, ILE1228E, ILE1228F, LEU1009E, LEU1009F, LEU1081E, LEU1081F, LEU1084E, LEU1084F, LEU1116E, LEU1116F, LEU1121E, LEU1121F, LEU1211E, LEU1211F, MET1126E, MET1126F, MET1197E, MET1197F, MET1205E, MET1205F, MET1234E, PHE1007E, PHE1007F, PHE1050E, PHE1050F, PHE1089E, PHE1089F, PHE1123E, PHE1123F, PHE1128E, PHE1128F, PHE1162E, PHE1162F, PHE1180E, PHE1180F, PRO1025E, PRO1025F, PRO1028E, PRO1028F, PRO1072E, PRO1072F, PRO1125E, PRO1125F, PRO1164E, PRO1164F, PRO1229E, PRO1229F, SER1004E, SER1046E, SER1046F, SER1066E, SER1066F, SER1073E, SER1073F, SER1075E, SER1075F, SER1120E, SER1120F, SER1158E, SER1158F, SER1159E, SER1159F, SER1173E, SER1173F, SER1208E, SER1208F, THR1067E, THR1067F, THR1074E, THR1074F, THR1094E, THR1094F, THR1161E, THR1161F, THR1171E, THR1171F, THR1201E, THR1201F, THR1204E, THR1204F, THR1233F, TYR1163E, TYR1163F, TYR1169E, TYR1169F, TYR1172E, TYR1172F, TYR1195E, TYR1195F, VAL1006E, VAL1006F, VAL1078E, VAL1078F, VAL1176E, VAL1176F, VAL1177E, VAL1177F, VAL1221E, VAL1221F