1Y1Q

crystal structure of the uridine phosphorylase from salmonella typhimurium in complex with uridine-5p-monophosphate and sulfate ion at 2.35a resolution

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 25
  • Norm. En. per Res.: -3.9423
• 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	-14.5655	-22.0674	-36.2562	-72.8891	28	2	0	1432	1	9	9
A-D	-22.9534	-2.3658	-313.702	-339.0212	118	5	14	12286	0	9	15
A-E	-83.5356	8.1433	-630.969	-706.3613	192	33	10	23245	0	60	55
A-F	-11.4476	-23.8569	-40.2353	-75.5398	25	1	0	1540	0	9	10
B-C	-19.688	-2.2333	-289.748	-311.6693	116	5	12	11848	0	10	15
B-D	-62.0293	-8.4778	-565.925	-636.4322	180	22	10	21472	0	51	47
B-F	0.0	-33.233	-34.0417	-67.2746	24	1	0	1329	2	9	10
C-D	-13.4662	-33.5698	-30.0051	-77.0411	25	1	0	1303	2	9	10
C-E	-23.3422	-41.9409	-33.2752	-98.5582	25	2	0	1355	3	9	10
C-F	-53.7056	34.9716	-610.539	-629.273	191	30	11	23212	0	58	55
D-E	-23.2993	-29.0489	-38.9685	-91.3167	26	3	0	1538	2	9	10
E-F	-20.4724	-0.9835	-294.027	-315.4829	112	7	13	11768	0	10	15

Interface residues

• A-B: ALA1189A, ARG1178A, ARG1179A, ARG2175B, ARG2178B, ARG2179B, GLN1188A, GLU1127A, GLU1167A, GLU1185A, GLU1186A, GLY1182A, GLY1191A, HIS2122B, LEU2121B, LYS1181A, LYS2181B, MET1184A, MET1190A, PHE1180A, PHE2180B, SER1183A, SER2173B, TRP1187A, VAL1176A, VAL1177A, VAL2176B, VAL2177B
• A-D: ALA1112A, ALA1124A, ALA1130A, ALA1132A, ALA1135A, ALA1139A, ALA1157A, ALA1189A, ALA1200A, ALA1207A, ALA4112D, ALA4124D, ALA4130D, ALA4132D, ALA4135D, ALA4139D, ALA4157D, ALA4189D, ALA4200D, ALA4207D, ARG1115A, ARG1179A, ARG4115D, ARG4179D, ASP1117A, ASP1133A, ASP4117D, ASP4133D, CYS1136A, CYS1206A, CYS4136D, CYS4206D, GLN1188A, GLN1209A, GLN4188D, GLN4209D, GLU1127A, GLU1142A, GLU1186A, GLU4127D, GLU4142D, GLU4186D, GLY1154A, GLY1191A, GLY1210A, GLY4154D, GLY4191D, GLY4210D, HIS4122D, LEU1116A, LEU1121A, LEU1140A, LEU1203A, LEU1211A, LEU4116D, LEU4121D, LEU4140D, LEU4203D, LEU4211D, LYS4145D, MET1126A, MET1190A, MET1193A, MET1205A, MET4126D, MET4190D, MET4193D, MET4205D, PHE1123A, PHE1128A, PHE1134A, PHE1180A, PHE4123D, PHE4128D, PHE4134D, PHE4180D, PRO1125A, PRO1129A, PRO4125D, PRO4129D, SER1113A, SER1120A, SER1158A, SER1183A, SER1208A, SER4113D, SER4120D, SER4158D, SER4183D, SER4208D, THR1110A, THR1111A, THR1137A, THR1138A, THR1156A, THR1204A, THR4110D, THR4111D, THR4137D, THR4138D, THR4156D, THR4204D, TRP1187A, TRP4187D, VAL1109A, VAL1114A, VAL1131A, VAL1141A, VAL1153A, VAL1155A, VAL1192A, VAL4109D, VAL4114D, VAL4131D, VAL4141D, VAL4153D, VAL4155D, VAL4192D
• A-E: ALA1077A, ALA1082A, ALA1119A, ALA1124A, ALA1207A, ALA5077E, ALA5082E, ALA5119E, ALA5124E, ALA5207E, ARG1030A, ARG1048A, ARG1087A, ARG1091A, ARG1115A, ARG1168A, ARG1175A, ARG1178A, ARG1179A, ARG5030E, ARG5048E, ARG5087E, ARG5091E, ARG5115E, ARG5168E, ARG5175E, ARG5178E, ARG5179E, ASP1027A, ASP1117A, ASP1160A, ASP1170A, ASP5005E, ASP5027E, ASP5117E, ASP5160E, ASP5170E, CYS1206A, CYS5206E, GLN1083A, GLN1166A, GLN1209A, GLN5083E, GLN5166E, GLN5209E, GLU1029A, GLU1049A, GLU1079A, GLU1080A, GLU1167A, GLU1198A, GLU1232A, GLU1238A, GLU5029E, GLU5049E, GLU5079E, GLU5080E, GLU5167E, GLU5198E, GLU5238E, GLY1026A, GLY1068A, GLY1070A, GLY1071A, GLY1085A, GLY1093A, GLY1118A, GLY1165A, GLY1174A, GLY1210A, GLY5026E, GLY5068E, GLY5070E, GLY5071E, GLY5085E, GLY5093E, GLY5118E, GLY5165E, GLY5174E, GLY5210E, HIS1008A, HIS1047A, HIS1122A, HIS5008E, HIS5047E, HIS5122E, ILE1069A, ILE1076A, ILE1086A, ILE1220A, ILE1228A, ILE5069E, ILE5076E, ILE5086E, ILE5220E, LEU1009A, LEU1081A, LEU1084A, LEU1116A, LEU1121A, LEU1211A, LEU5009E, LEU5081E, LEU5084E, LEU5116E, LEU5121E, LEU5211E, LYS1013A, LYS1235A, MET1126A, MET1197A, MET1205A, MET5126E, MET5197E, MET5205E, PHE1007A, PHE1050A, PHE1089A, PHE1123A, PHE1128A, PHE1162A, PHE1180A, PHE5007E, PHE5050E, PHE5089E, PHE5123E, PHE5128E, PHE5162E, PHE5180E, PRO1025A, PRO1028A, PRO1072A, PRO1125A, PRO1164A, PRO1229A, PRO5025E, PRO5028E, PRO5072E, PRO5125E, PRO5164E, SER1046A, SER1066A, SER1073A, SER1075A, SER1120A, SER1158A, SER1159A, SER1173A, SER1208A, SER5046E, SER5066E, SER5073E, SER5075E, SER5120E, SER5158E, SER5159E, SER5173E, SER5208E, THR1051A, THR1067A, THR1074A, THR1094A, THR1161A, THR1171A, THR1201A, THR1204A, THR5051E, THR5067E, THR5074E, THR5094E, THR5161E, THR5171E, THR5201E, THR5204E, TYR1163A, TYR1169A, TYR1172A, TYR1195A, TYR5163E, TYR5169E, TYR5172E, TYR5195E, VAL1006A, VAL1078A, VAL1176A, VAL1177A, VAL1221A, VAL5006E, VAL5078E, VAL5176E, VAL5177E, VAL5221E
• A-F: ALA6189F, ARG1175A, ARG1178A, ARG1179A, ARG6178F, ARG6179F, GLN6188F, GLU6167F, GLU6185F, GLU6186F, GLY6182F, GLY6191F, LYS1181A, LYS6181F, MET6184F, MET6190F, PHE1180A, PHE6180F, SER1173A, SER6183F, TRP6187F, VAL1176A, VAL1177A, VAL6176F, VAL6177F
• B-C: ALA2112B, ALA2124B, ALA2130B, ALA2132B, ALA2135B, ALA2139B, ALA2157B, ALA2189B, ALA2200B, ALA2207B, ALA3112C, ALA3124C, ALA3130C, ALA3132C, ALA3135C, ALA3139C, ALA3157C, ALA3189C, ALA3200C, ALA3207C, ARG2115B, ARG2179B, ARG3115C, ARG3179C, ASP2117B, ASP2133B, ASP3117C, ASP3133C, CYS2136B, CYS2206B, CYS3136C, CYS3206C, GLN2188B, GLN2209B, GLN3188C, GLN3209C, GLU2127B, GLU2142B, GLU2186B, GLU3127C, GLU3142C, GLU3186C, GLY2154B, GLY2191B, GLY2210B, GLY3154C, GLY3191C, GLY3210C, HIS3122C, LEU2116B, LEU2121B, LEU2140B, LEU2203B, LEU2211B, LEU3116C, LEU3121C, LEU3140C, LEU3203C, LEU3211C, LYS2145B, LYS3145C, MET2126B, MET2190B, MET2193B, MET3126C, MET3190C, PHE2123B, PHE2128B, PHE2134B, PHE2180B, PHE3123C, PHE3128C, PHE3134C, PHE3180C, PRO2125B, PRO2129B, PRO3125C, PRO3129C, SER2113B, SER2120B, SER2158B, SER2183B, SER2208B, SER3113C, SER3158C, SER3183C, SER3208C, THR2110B, THR2111B, THR2137B, THR2138B, THR2156B, THR2204B, THR3110C, THR3111C, THR3137C, THR3138C, THR3151C, THR3156C, THR3204C, TRP2187B, TRP3187C, VAL2109B, VAL2114B, VAL2131B, VAL2141B, VAL2153B, VAL2155B, VAL2192B, VAL3109C, VAL3114C, VAL3131C, VAL3141C, VAL3153C, VAL3155C, VAL3192C
• B-D: ALA2077B, ALA2082B, ALA2119B, ALA2124B, ALA2207B, ALA4077D, ALA4082D, ALA4119D, ALA4124D, ALA4207D, ARG2030B, ARG2048B, ARG2087B, ARG2091B, ARG2115B, ARG2168B, ARG2175B, ARG2178B, ARG2179B, ARG4030D, ARG4048D, ARG4087D, ARG4091D, ARG4115D, ARG4168D, ARG4175D, ARG4178D, ARG4179D, ASP2005B, ASP2027B, ASP2117B, ASP2160B, ASP2170B, ASP4027D, ASP4117D, ASP4160D, ASP4170D, CYS2206B, CYS4206D, GLN2083B, GLN2166B, GLN2209B, GLN4083D, GLN4166D, GLN4209D, GLU2029B, GLU2049B, GLU2079B, GLU2080B, GLU2167B, GLU2198B, GLU4029D, GLU4049D, GLU4079D, GLU4080D, GLU4167D, GLU4198D, GLY2026B, GLY2068B, GLY2070B, GLY2071B, GLY2085B, GLY2118B, GLY2165B, GLY2174B, GLY2210B, GLY4026D, GLY4068D, GLY4070D, GLY4071D, GLY4085D, GLY4118D, GLY4165D, GLY4174D, GLY4210D, HIS2008B, HIS2047B, HIS2122B, HIS4008D, HIS4047D, HIS4122D, ILE2069B, ILE2076B, ILE2086B, ILE4069D, ILE4076D, ILE4086D, ILE4220D, LEU2009B, LEU2081B, LEU2084B, LEU2116B, LEU2121B, LEU2211B, LEU4009D, LEU4081D, LEU4084D, LEU4116D, LEU4121D, LEU4211D, LYS2013B, MET2126B, MET2197B, MET2205B, MET4126D, MET4197D, MET4205D, MET4234D, PHE2007B, PHE2050B, PHE2089B, PHE2123B, PHE2128B, PHE2162B, PHE2180B, PHE4007D, PHE4050D, PHE4089D, PHE4123D, PHE4128D, PHE4162D, PHE4180D, PRO2025B, PRO2028B, PRO2072B, PRO2125B, PRO2164B, PRO4025D, PRO4028D, PRO4072D, PRO4125D, PRO4164D, SER2046B, SER2066B, SER2073B, SER2075B, SER2120B, SER2158B, SER2159B, SER2173B, SER2208B, SER4046D, SER4066D, SER4073D, SER4075D, SER4120D, SER4158D, SER4159D, SER4173D, SER4208D, THR2067B, THR2074B, THR2161B, THR2171B, THR2201B, THR2204B, THR4051D, THR4067D, THR4074D, THR4094D, THR4161D, THR4171D, THR4201D, THR4204D, TYR2163B, TYR2172B, TYR2195B, TYR4163D, TYR4169D, TYR4172D, TYR4195D, VAL2006B, VAL2078B, VAL2176B, VAL2177B, VAL4006D, VAL4078D, VAL4176D, VAL4177D, VAL4221D
• B-F: ALA2189B, ARG2178B, ARG2179B, ARG6175F, ARG6178F, ARG6179F, GLN2188B, GLU2167B, GLU2185B, GLU2186B, GLY2182B, GLY2191B, LYS2181B, LYS6181F, MET2184B, MET2190B, PHE2180B, SER2183B, SER6173F, TRP2187B, VAL2176B, VAL2177B, VAL6176F, VAL6177F
• C-D: ALA3189C, ARG3178C, ARG3179C, ARG4175D, ARG4178D, ARG4179D, GLN3188C, GLU3127C, GLU3167C, GLU3185C, GLU3186C, GLY3182C, GLY3191C, HIS4122D, LYS3181C, LYS4181D, MET3184C, MET3190C, PHE3180C, SER3183C, SER4173D, TRP3187C, VAL3177C, VAL4176D, VAL4177D
• C-E: ALA5189E, ARG3175C, ARG3178C, ARG3179C, ARG5178E, ARG5179E, GLN5188E, GLU5127E, GLU5167E, GLU5185E, GLU5186E, GLY5182E, GLY5191E, HIS3122C, LYS3181C, LYS5181E, MET5184E, MET5190E, PHE5180E, SER3173C, SER5183E, TRP5187E, VAL3176C, VAL3177C, VAL5177E
• C-F: ALA3077C, ALA3082C, ALA3119C, ALA3124C, ALA3207C, ALA6077F, ALA6082F, ALA6119F, ALA6124F, ALA6207F, ARG3030C, ARG3048C, ARG3087C, ARG3091C, ARG3115C, ARG3168C, ARG3175C, ARG3178C, ARG3179C, ARG3212C, ARG6030F, ARG6048F, ARG6087F, ARG6091F, ARG6115F, ARG6168F, ARG6175F, ARG6178F, ARG6179F, ARG6212F, ASN6230F, ASP3005C, ASP3027C, ASP3117C, ASP3160C, ASP3170C, ASP6005F, ASP6027F, ASP6117F, ASP6160F, ASP6170F, CYS3206C, CYS6206F, GLN3083C, GLN3166C, GLN3209C, GLN6083F, GLN6166F, GLN6209F, GLN6226F, GLU3029C, GLU3049C, GLU3079C, GLU3080C, GLU3167C, GLU3198C, GLU6029F, GLU6049F, GLU6079F, GLU6080F, GLU6167F, GLU6198F, GLU6227F, GLY3026C, GLY3068C, GLY3070C, GLY3071C, GLY3085C, GLY3093C, GLY3118C, GLY3165C, GLY3174C, GLY3210C, GLY6026F, GLY6068F, GLY6070F, GLY6071F, GLY6085F, GLY6093F, GLY6118F, GLY6165F, GLY6174F, GLY6210F, HIS3008C, HIS3047C, HIS3122C, HIS6008F, HIS6047F, HIS6122F, ILE3069C, ILE3076C, ILE3086C, ILE3220C, ILE6069F, ILE6076F, ILE6086F, ILE6092F, ILE6220F, ILE6228F, LEU3009C, LEU3081C, LEU3084C, LEU3116C, LEU3121C, LEU3211C, LEU6009F, LEU6081F, LEU6084F, LEU6116F, LEU6121F, LEU6211F, MET3126C, MET3197C, MET3205C, MET6126F, MET6197F, MET6205F, PHE3007C, PHE3050C, PHE3089C, PHE3123C, PHE3128C, PHE3162C, PHE3180C, PHE6007F, PHE6050F, PHE6089F, PHE6123F, PHE6128F, PHE6162F, PHE6180F, PRO3025C, PRO3028C, PRO3072C, PRO3125C, PRO3164C, PRO6025F, PRO6028F, PRO6072F, PRO6125F, PRO6164F, PRO6229F, SER3046C, SER3066C, SER3073C, SER3075C, SER3120C, SER3158C, SER3159C, SER3173C, SER3208C, SER6046F, SER6066F, SER6073F, SER6075F, SER6120F, SER6158F, SER6159F, SER6173F, SER6208F, THR3067C, THR3074C, THR3094C, THR3161C, THR3171C, THR3201C, THR3204C, THR6067F, THR6074F, THR6094F, THR6161F, THR6171F, THR6201F, THR6204F, TYR3163C, TYR3169C, TYR3172C, TYR3195C, TYR6163F, TYR6169F, TYR6172F, VAL3006C, VAL3078C, VAL3176C, VAL3177C, VAL3221C, VAL6006F, VAL6078F, VAL6176F, VAL6177F, VAL6221F
• D-E: ALA4189D, ARG4178D, ARG4179D, ARG5175E, ARG5178E, ARG5179E, GLN4188D, GLU4127D, GLU4167D, GLU4185D, GLU4186D, GLY4182D, GLY4191D, HIS5122E, LYS4181D, LYS5181E, MET4184D, MET4190D, PHE4180D, SER4183D, SER5173E, TRP4187D, VAL4176D, VAL4177D, VAL5176E, VAL5177E
• E-F: ALA5112E, ALA5124E, ALA5130E, ALA5132E, ALA5135E, ALA5139E, ALA5157E, ALA5189E, ALA5200E, ALA5207E, ALA6112F, ALA6124F, ALA6130F, ALA6132F, ALA6135F, ALA6139F, ALA6157F, ALA6189F, ALA6200F, ALA6207F, ARG5115E, ARG5179E, ARG6115F, ARG6179F, ASP5117E, ASP5133E, ASP6117F, ASP6133F, CYS5136E, CYS5206E, CYS6136F, CYS6206F, GLN5209E, GLN6209F, GLU5127E, GLU5142E, GLU5186E, GLU6127F, GLU6142F, GLU6186F, GLY5154E, GLY5191E, GLY5210E, GLY6154F, GLY6191F, GLY6210F, HIS5122E, LEU5116E, LEU5121E, LEU5140E, LEU5203E, LEU5211E, LEU6116F, LEU6121F, LEU6140F, LEU6203F, LEU6211F, LYS5145E, MET5126E, MET5190E, MET5193E, MET6126F, MET6190F, MET6193F, PHE5123E, PHE5128E, PHE5134E, PHE5180E, PHE6123F, PHE6128F, PHE6134F, PHE6180F, PRO5125E, PRO5129E, PRO6125F, PRO6129F, SER5113E, SER5158E, SER5183E, SER5208E, SER6113F, SER6158F, SER6183F, SER6208F, THR5110E, THR5111E, THR5137E, THR5138E, THR5156E, THR5204E, THR6110F, THR6111F, THR6137F, THR6138F, THR6156F, THR6204F, TRP5187E, TRP6187F, VAL5109E, VAL5114E, VAL5131E, VAL5141E, VAL5153E, VAL5155E, VAL5192E, VAL6109F, VAL6114F, VAL6131F, VAL6141F, VAL6153F, VAL6155F, VAL6192F