3FWP

x-ray structure of uridine nucleoside phosphorylease from salmonella typhimurium complexed with phosphate and its inhibitor 2,2'-anhydrouridine at 1.86 a resolution

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 25
  • Norm. En. per Res.: -4.4615
• 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	-14.9956	-43.818	-37.8767	-96.6903	24	4	0	1439	2	9	10
A-C	-15.258	-43.0543	-36.7013	-95.0135	27	2	0	1501	2	9	10
A-E	-20.4891	-2.2227	-315.581	-338.2927	119	3	14	12385	1	10	15
A-F	-92.5498	25.134	-633.342	-700.7578	188	18	10	23186	0	59	53
B-C	-30.3238	-36.8472	-44.3654	-111.5364	25	3	0	1555	6	9	10
B-D	-65.4901	42.3651	-625.901	-649.026	190	14	11	23210	0	58	53
B-F	-21.9521	-3.4094	-311.519	-336.8805	119	2	12	12051	0	9	15
C-D	-21.6452	-4.4746	-306.634	-332.7537	119	2	13	11996	1	10	15
C-E	-83.1662	15.5757	-606.024	-673.6145	182	17	10	22128	0	54	46
D-E	-17.041	-38.6333	-35.1034	-90.7777	27	3	0	1504	2	9	10
D-F	-24.6319	-33.0526	-35.2154	-92.8999	26	3	0	1370	2	9	10
E-F	-13.0985	-38.823	-40.8508	-92.7723	26	3	0	1597	2	9	10

Interface residues

• A-B: ALA6189B, ARG1175A, ARG1178A, ARG1179A, ARG6178B, ARG6179B, GLN6188B, GLU6167B, GLU6185B, GLU6186B, GLY6182B, GLY6191B, LYS1181A, LYS6181B, MET6184B, MET6190B, PHE6180B, SER1173A, SER6183B, TRP6187B, VAL1176A, VAL1177A, VAL6176B, VAL6177B
• A-C: ALA1189A, ARG1178A, ARG1179A, ARG2175C, ARG2178C, ARG2179C, GLN1188A, GLU1127A, GLU1167A, GLU1185A, GLU1186A, GLY1182A, GLY1191A, HIS2122C, LEU2121C, LYS1181A, LYS2181C, MET1184A, MET1190A, PHE1180A, SER1183A, SER2173C, TRP1187A, VAL1176A, VAL1177A, VAL2176C, VAL2177C
• A-E: ALA1112A, ALA1124A, ALA1130A, ALA1132A, ALA1135A, ALA1139A, ALA1157A, ALA1189A, ALA1200A, ALA1207A, ALA5112E, ALA5124E, ALA5130E, ALA5132E, ALA5135E, ALA5139E, ALA5157E, ALA5189E, ALA5200E, ALA5207E, ARG1115A, ARG1179A, ARG5115E, ARG5179E, ASP1117A, ASP1133A, ASP5117E, ASP5133E, CYS1136A, CYS1206A, CYS5136E, CYS5206E, GLN1188A, GLN1209A, GLN5188E, GLN5209E, GLU1127A, GLU1142A, GLU1186A, GLU5127E, GLU5142E, GLU5186E, GLY1154A, GLY1191A, GLY1210A, GLY5154E, GLY5191E, GLY5210E, HIS1122A, HIS5122E, LEU1116A, LEU1121A, LEU1140A, LEU1203A, LEU1211A, LEU5116E, LEU5121E, LEU5140E, LEU5203E, LEU5211E, LYS1145A, LYS5145E, MET1126A, MET1190A, MET1193A, MET1205A, MET5126E, MET5190E, MET5193E, PHE1123A, PHE1128A, PHE1134A, PHE1180A, PHE5123E, PHE5128E, PHE5134E, PHE5180E, PRO1125A, PRO1129A, PRO5125E, PRO5129E, SER1113A, SER1120A, SER1158A, SER1183A, SER1208A, SER5113E, SER5120E, SER5158E, SER5183E, SER5208E, THR1110A, THR1111A, THR1137A, THR1138A, THR1156A, THR1204A, THR5110E, THR5111E, THR5137E, THR5138E, THR5156E, THR5204E, TRP1187A, TRP5187E, VAL1109A, VAL1114A, VAL1131A, VAL1141A, VAL1153A, VAL1155A, VAL1192A, VAL5109E, VAL5114E, VAL5131E, VAL5141E, VAL5153E, VAL5155E, VAL5192E
• A-F: ALA1077A, ALA1082A, ALA1119A, ALA1124A, ALA1207A, ALA4077F, ALA4082F, ALA4119F, ALA4124F, ALA4207F, ARG1030A, ARG1048A, ARG1087A, ARG1091A, ARG1115A, ARG1168A, ARG1175A, ARG1178A, ARG1179A, ARG4030F, ARG4048F, ARG4087F, ARG4091F, ARG4115F, ARG4168F, ARG4175F, ARG4178F, ARG4179F, ASP1027A, ASP1117A, ASP1160A, ASP1170A, ASP4005F, ASP4027F, ASP4117F, ASP4160F, ASP4170F, CYS1206A, CYS4206F, GLN1083A, GLN1166A, GLN1209A, GLN4083F, GLN4166F, GLN4209F, GLN4226F, GLU1029A, GLU1049A, GLU1079A, GLU1080A, GLU1167A, GLU1196A, GLU1198A, GLU4029F, GLU4049F, GLU4079F, GLU4080F, GLU4167F, GLU4198F, GLY1026A, GLY1068A, GLY1070A, GLY1071A, GLY1085A, GLY1093A, GLY1118A, GLY1165A, GLY1174A, GLY1210A, GLY4026F, GLY4068F, GLY4070F, GLY4071F, GLY4085F, GLY4093F, GLY4118F, GLY4165F, GLY4174F, GLY4210F, HIS1008A, HIS1047A, HIS1122A, HIS4008F, HIS4047F, HIS4122F, ILE1069A, ILE1076A, ILE1086A, ILE1220A, ILE1228A, ILE4069F, ILE4076F, ILE4086F, ILE4220F, LEU1009A, LEU1081A, LEU1084A, LEU1116A, LEU1121A, LEU1211A, LEU4009F, LEU4081F, LEU4084F, LEU4116F, LEU4121F, LEU4211F, LYS1013A, MET1126A, MET1197A, MET1205A, MET1234A, MET4126F, MET4197F, MET4205F, PHE1007A, PHE1050A, PHE1089A, PHE1123A, PHE1128A, PHE1162A, PHE1180A, PHE4007F, PHE4050F, PHE4089F, PHE4123F, PHE4128F, PHE4162F, PHE4180F, PRO1025A, PRO1028A, PRO1072A, PRO1125A, PRO1164A, PRO4025F, PRO4028F, PRO4072F, PRO4125F, PRO4164F, SER1046A, SER1066A, SER1073A, SER1075A, SER1120A, SER1158A, SER1159A, SER1173A, SER1208A, SER4046F, SER4066F, SER4073F, SER4075F, SER4120F, SER4158F, SER4159F, SER4173F, SER4208F, THR1051A, THR1067A, THR1074A, THR1094A, THR1161A, THR1171A, THR1201A, THR1204A, THR4067F, THR4074F, THR4094F, THR4161F, THR4171F, THR4201F, THR4204F, TYR1163A, TYR1172A, TYR1195A, TYR4163F, TYR4169F, TYR4172F, TYR4195F, VAL1006A, VAL1078A, VAL1176A, VAL1177A, VAL1221A, VAL4006F, VAL4078F, VAL4176F, VAL4177F, VAL4221F
• B-C: ALA2189C, ARG2178C, ARG2179C, ARG6175B, ARG6178B, ARG6179B, GLN2188C, GLU2127C, GLU2167C, GLU2185C, GLU2186C, GLY2182C, HIS6122B, LYS2181C, LYS6181B, MET2184C, MET2190C, PHE2180C, SER2183C, SER6173B, TRP2187C, VAL2176C, VAL2177C, VAL6176B, VAL6177B
• B-D: ALA3077D, ALA3082D, ALA3119D, ALA3124D, ALA6077B, ALA6082B, ALA6119B, ALA6124B, ALA6207B, ARG3030D, ARG3048D, ARG3087D, ARG3091D, ARG3115D, ARG3168D, ARG3175D, ARG3178D, ARG3179D, ARG3212D, ARG6030B, ARG6048B, ARG6087B, ARG6091B, ARG6115B, ARG6168B, ARG6175B, ARG6178B, ARG6179B, ARG6212B, ASN6230B, ASP3005D, ASP3027D, ASP3117D, ASP3160D, ASP3170D, ASP6005B, ASP6027B, ASP6117B, ASP6160B, ASP6170B, CYS3206D, CYS6206B, GLN3083D, GLN3166D, GLN3209D, GLN6083B, GLN6166B, GLN6209B, GLU3029D, GLU3049D, GLU3079D, GLU3080D, GLU3167D, GLU3198D, GLU6029B, GLU6049B, GLU6079B, GLU6080B, GLU6167B, GLU6198B, GLU6227B, GLY3026D, GLY3068D, GLY3070D, GLY3071D, GLY3085D, GLY3093D, GLY3118D, GLY3165D, GLY3174D, GLY3210D, GLY6026B, GLY6068B, GLY6070B, GLY6071B, GLY6085B, GLY6093B, GLY6118B, GLY6165B, GLY6174B, GLY6210B, HIS3008D, HIS3047D, HIS3122D, HIS6008B, HIS6047B, HIS6122B, ILE3069D, ILE3076D, ILE3086D, ILE3220D, ILE6069B, ILE6076B, ILE6086B, ILE6220B, ILE6228B, LEU3009D, LEU3081D, LEU3084D, LEU3116D, LEU3121D, LEU3211D, LEU6009B, LEU6081B, LEU6084B, LEU6116B, LEU6121B, LEU6211B, LYS3013D, MET3126D, MET3197D, MET3205D, MET3234D, MET6126B, MET6197B, MET6205B, PHE3007D, PHE3050D, PHE3089D, PHE3123D, PHE3128D, PHE3162D, PHE3180D, PHE6007B, PHE6050B, PHE6089B, PHE6123B, PHE6128B, PHE6162B, PHE6180B, PRO3025D, PRO3028D, PRO3072D, PRO3125D, PRO3164D, PRO6025B, PRO6028B, PRO6072B, PRO6125B, PRO6164B, PRO6229B, SER3046D, SER3066D, SER3073D, SER3075D, SER3120D, SER3158D, SER3159D, SER3173D, SER3208D, SER6046B, SER6066B, SER6073B, SER6075B, SER6120B, SER6158B, SER6159B, SER6173B, SER6208B, THR3067D, THR3074D, THR3094D, THR3161D, THR3171D, THR3201D, THR6067B, THR6074B, THR6094B, THR6095B, THR6161B, THR6171B, THR6201B, THR6204B, TYR3163D, TYR3172D, TYR3195D, TYR6163B, TYR6169B, TYR6172B, TYR6195B, VAL3006D, VAL3078D, VAL3176D, VAL3177D, VAL3221D, VAL6006B, VAL6078B, VAL6176B, VAL6177B, VAL6221B
• B-F: ALA4112F, ALA4124F, ALA4130F, ALA4132F, ALA4135F, ALA4139F, ALA4157F, ALA4189F, ALA4200F, ALA4207F, ALA6112B, ALA6124B, ALA6130B, ALA6132B, ALA6135B, ALA6139B, ALA6157B, ALA6189B, ALA6200B, ALA6207B, ARG4115F, ARG4179F, ARG6115B, ARG6179B, ASP4117F, ASP4133F, ASP6117B, ASP6133B, CYS4136F, CYS4206F, CYS6136B, CYS6206B, GLN4188F, GLN4209F, GLN6188B, GLN6209B, GLU4127F, GLU4142F, GLU4186F, GLU6127B, GLU6142B, GLU6186B, GLY4154F, GLY4191F, GLY4210F, GLY6154B, GLY6191B, GLY6210B, HIS4122F, HIS6122B, ILE6098B, LEU4116F, LEU4121F, LEU4140F, LEU4203F, LEU4211F, LEU6116B, LEU6121B, LEU6140B, LEU6203B, LEU6211B, LYS4145F, MET4126F, MET4190F, MET4193F, MET4205F, MET6126B, MET6190B, MET6193B, PHE4123F, PHE4128F, PHE4134F, PHE4180F, PHE6123B, PHE6128B, PHE6134B, PHE6180B, PRO4125F, PRO4129F, PRO6125B, PRO6129B, SER4113F, SER4120F, SER4158F, SER4183F, SER4208F, SER6113B, SER6120B, SER6158B, SER6183B, SER6208B, THR4110F, THR4111F, THR4137F, THR4138F, THR4156F, THR4204F, THR6110B, THR6111B, THR6137B, THR6138B, THR6156B, THR6204B, TRP4187F, TRP6187B, VAL4109F, VAL4114F, VAL4131F, VAL4141F, VAL4153F, VAL4155F, VAL4192F, VAL6109B, VAL6114B, VAL6131B, VAL6141B, VAL6153B, VAL6155B, VAL6192B
• C-D: ALA2112C, ALA2124C, ALA2130C, ALA2132C, ALA2135C, ALA2139C, ALA2157C, ALA2189C, ALA2200C, ALA2207C, ALA3112D, ALA3124D, ALA3130D, ALA3132D, ALA3135D, ALA3139D, ALA3157D, ALA3189D, ALA3200D, ALA3207D, ARG2115C, ARG2179C, ARG3115D, ARG3179D, ASP2117C, ASP2133C, ASP3117D, ASP3133D, CYS2136C, CYS2206C, CYS3136D, CYS3206D, GLN2188C, GLN2209C, GLN3188D, GLN3209D, GLU2127C, GLU2142C, GLU2186C, GLU3127D, GLU3142D, GLU3186D, GLY2154C, GLY2191C, GLY2210C, GLY3154D, GLY3191D, GLY3210D, HIS2122C, HIS3122D, LEU2116C, LEU2121C, LEU2140C, LEU2203C, LEU2211C, LEU3116D, LEU3121D, LEU3140D, LEU3203D, LEU3211D, LYS2145C, LYS3145D, MET2126C, MET2190C, MET2193C, MET3126D, MET3190D, MET3193D, MET3205D, PHE2123C, PHE2128C, PHE2134C, PHE2180C, PHE3123D, PHE3128D, PHE3134D, PHE3180D, PRO2125C, PRO2129C, PRO3125D, PRO3129D, SER2113C, SER2120C, SER2158C, SER2183C, SER2208C, SER3113D, SER3120D, SER3158D, SER3183D, SER3208D, THR2110C, THR2111C, THR2137C, THR2138C, THR2156C, THR2204C, THR3110D, THR3111D, THR3137D, THR3138D, THR3156D, THR3204D, TRP2187C, TRP3187D, VAL2109C, VAL2114C, VAL2131C, VAL2141C, VAL2153C, VAL2155C, VAL2192C, VAL3109D, VAL3114D, VAL3131D, VAL3141D, VAL3153D, VAL3155D, VAL3192D
• C-E: ALA2077C, ALA2082C, ALA2119C, ALA2124C, ALA2207C, ALA5077E, ALA5082E, ALA5119E, ALA5124E, ALA5207E, ARG2030C, ARG2048C, ARG2087C, ARG2091C, ARG2115C, ARG2168C, ARG2175C, ARG2178C, ARG2179C, ARG5030E, ARG5048E, ARG5087E, ARG5091E, ARG5115E, ARG5168E, ARG5175E, ARG5178E, ARG5179E, ASP2005C, ASP2027C, ASP2117C, ASP2160C, ASP2170C, ASP5027E, ASP5117E, ASP5160E, ASP5170E, CYS2206C, CYS5206E, GLN2083C, GLN2166C, GLN2209C, GLN5083E, GLN5166E, GLN5209E, GLU2029C, GLU2049C, GLU2079C, GLU2080C, GLU2167C, GLU2198C, GLU5029E, GLU5049E, GLU5079E, GLU5080E, GLU5167E, GLU5198E, GLY2026C, GLY2068C, GLY2070C, GLY2071C, GLY2085C, GLY2118C, GLY2165C, GLY2174C, GLY2210C, GLY5026E, GLY5068E, GLY5070E, GLY5071E, GLY5085E, GLY5093E, GLY5118E, GLY5165E, GLY5174E, GLY5210E, HIS2008C, HIS2047C, HIS2122C, HIS5008E, HIS5047E, HIS5122E, ILE2069C, ILE2076C, ILE2086C, ILE2220C, ILE5069E, ILE5076E, ILE5086E, ILE5220E, LEU2009C, LEU2081C, LEU2084C, LEU2116C, LEU2121C, LEU2211C, LEU5009E, LEU5081E, LEU5084E, LEU5116E, LEU5121E, LEU5211E, LYS2013C, MET2126C, MET2197C, MET2205C, MET5126E, MET5197E, MET5205E, PHE2007C, PHE2050C, PHE2089C, PHE2123C, PHE2128C, PHE2162C, PHE2180C, PHE5007E, PHE5050E, PHE5089E, PHE5123E, PHE5128E, PHE5162E, PHE5180E, PRO2025C, PRO2028C, PRO2072C, PRO2125C, PRO2164C, PRO5025E, PRO5028E, PRO5072E, PRO5125E, PRO5164E, SER2046C, SER2066C, SER2073C, SER2075C, SER2120C, SER2158C, SER2159C, SER2173C, SER2208C, SER5046E, SER5066E, SER5073E, SER5075E, SER5120E, SER5158E, SER5159E, SER5173E, SER5208E, THR2067C, THR2074C, THR2094C, THR2161C, THR2171C, THR2201C, THR2204C, THR5067E, THR5074E, THR5094E, THR5161E, THR5171E, THR5201E, THR5204E, TYR2163C, TYR2169C, TYR2172C, TYR2195C, TYR5163E, TYR5172E, TYR5195E, VAL2006C, VAL2078C, VAL2176C, VAL2177C, VAL2221C, VAL5006E, VAL5078E, VAL5176E, VAL5177E, VAL5221E
• D-E: ALA3189D, ARG3178D, ARG3179D, ARG5175E, ARG5178E, ARG5179E, GLN3188D, GLU3127D, GLU3167D, GLU3185D, GLU3186D, GLY3182D, GLY3191D, HIS5122E, LEU5121E, LYS3181D, LYS5181E, MET3184D, MET3190D, PHE3180D, SER3183D, SER5173E, TRP3187D, VAL3176D, VAL3177D, VAL5176E, VAL5177E
• D-F: ALA4189F, ARG3175D, ARG3178D, ARG3179D, ARG4178F, ARG4179F, GLN4188F, GLU4127F, GLU4167F, GLU4185F, GLU4186F, GLY4182F, GLY4191F, HIS3122D, LEU3121D, LYS3181D, LYS4181F, MET4184F, MET4190F, PHE4180F, SER3173D, SER4183F, TRP4187F, VAL3176D, VAL3177D, VAL4177F
• E-F: ALA5189E, ARG4175F, ARG4178F, ARG4179F, ARG5178E, ARG5179E, GLN5188E, GLU5127E, GLU5167E, GLU5185E, GLU5186E, GLY5182E, GLY5191E, HIS4122F, LYS4181F, LYS5181E, MET5184E, MET5190E, PHE5180E, SER4173F, SER5183E, TRP5187E, VAL4176F, VAL4177F, VAL5176E, VAL5177E