1LVU

crystal structure of calf spleen purine nucleoside phosphorylase in a new space group with full trimer in the asymmetric unit

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 106
  • Norm. En. per Res.: -4.1563
• 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	-71.6434	-18.6	-327.077	-417.3205	103	12	7	12826	0	17	19
A-C	-67.1649	-13.1103	-311.773	-392.0482	106	12	7	12322	0	16	20
A-D	0.0	63.8275	-19.4776	44.3499	30	0	0	905	0	10	15
A-E	-17.2547	18.6179	-27.9922	-26.629	17	0	0	886	8	6	16
B-C	-87.8196	-17.7294	-335.017	-440.566	106	21	7	13003	0	16	20
B-D	-12.8734	19.9633	-27.1089	-20.019	17	0	0	827	8	6	17
B-F	0.0	60.3679	-18.5257	41.8422	30	0	0	823	0	9	14
C-E	0.0	61.8676	-19.3003	42.5673	30	0	0	918	0	9	14
C-F	-14.034	15.2672	-27.0623	-25.8291	19	0	0	864	8	6	17
D-E	-76.6433	-19.7633	-322.197	-418.6035	107	13	7	12626	0	16	19
D-F	-74.3253	-19.2883	-339.704	-433.3176	105	12	7	12782	0	18	19
E-F	-75.7394	-19.0145	-326.694	-421.4479	107	11	7	12724	0	14	17

Interface residues

• A-B: ALA1161B, ALA1165B, ALA1214B, ALA204A, ARG1101B, ARG1133B, ARG1148B, ARG1158B, ARG1168B, ARG1171B, ARG1229B, ARG207A, ASN1003B, ASN1137B, ASN1145B, ASN1151B, ASN1211B, ASN137A, ASN199A, ASN211A, ASP1134B, ASP1164B, ASP248A, CYS206A, GLN1002B, GLN1144B, GLN144A, GLU1153B, GLU201A, GLU205A, GLU250A, GLU89A, GLY1140B, GLY1143B, GLY1149B, GLY1190B, GLY1213B, GLY140A, GLY143A, GLY196A, GLY197A, GLY90A, HIS1135B, HIS1230B, HIS86A, ILE1136B, ILE1226B, ILE136A, ILE246A, LEU1138B, LEU1147B, LEU1208B, LEU1209B, LEU1212B, LEU138A, LEU195A, LEU208A, LEU209A, LEU212A, LYS95A, MET1162B, MET1194B, MET194A, MET219A, MET247A, MET87A, PHE1141B, PHE1159B, PHE141A, PHE200A, PHE93A, PRO1139B, PRO1146B, PRO1150B, PRO1160B, PRO1223B, PRO139A, PRO198A, PRO62A, PRO92A, SER1142B, SER1163B, SER142A, SER33A, THR1191B, THR202A, THR60A, TRP94A, TYR1166B, TYR1192B, TYR249A, TYR88A, TYR91A, VAL1157B, VAL1193B, VAL1222B, VAL1225B, VAL193A, VAL203A, VAL217A, VAL245A, VAL61A, VAL96A
• A-C: ALA161A, ALA165A, ALA214A, ALA2204C, ARG101A, ARG133A, ARG148A, ARG158A, ARG168A, ARG171A, ARG2207C, ARG229A, ASN137A, ASN145A, ASN151A, ASN211A, ASN2137C, ASN2199C, ASN2211C, ASN3A, ASP134A, ASP164A, ASP215A, ASP2248C, CYS2206C, GLN144A, GLN2144C, GLN2252C, GLN2A, GLU153A, GLU2089C, GLU2201C, GLU2205C, GLU2250C, GLY140A, GLY143A, GLY149A, GLY190A, GLY2090C, GLY213A, GLY2140C, GLY2143C, GLY2196C, GLY2197C, HIS135A, HIS2086C, HIS230A, ILE136A, ILE2136C, ILE2246C, ILE226A, LEU138A, LEU147A, LEU208A, LEU209A, LEU212A, LEU2138C, LEU2195C, LEU2208C, LEU2209C, LEU2212C, LYS2095C, MET162A, MET194A, MET2001C, MET2087C, MET2194C, MET2219C, PHE141A, PHE159A, PHE2093C, PHE2141C, PHE2200C, PRO139A, PRO146A, PRO150A, PRO160A, PRO2062C, PRO2092C, PRO2139C, PRO2198C, PRO223A, SER142A, SER163A, SER2033C, SER2142C, SER2251C, THR191A, THR2060C, THR2202C, TRP2094C, TYR166A, TYR192A, TYR2088C, TYR2091C, TYR2249C, VAL157A, VAL193A, VAL2061C, VAL2096C, VAL2193C, VAL2203C, VAL2217C, VAL222A, VAL2245C, VAL225A
• A-D: ALA65A, ALA65D, ASN55A, ASN55D, ASP12A, ASP12D, ASP49A, ASP49D, GLU52A, GLU52D, GLU58A, GLU58D, GLY63A, GLY63D, HIS20A, HIS20D, ILE53A, ILE53D, PHE56A, PHE56D, PRO54A, PRO54D, PRO62A, PRO62D, SER51A, SER51D, TRP16A, TRP16D, TYR50A, TYR50D
• A-E: ARG1154E, ARG154A, ASP1009E, ASP1012E, ASP12A, ASP9A, GLN1011E, GLN11A, GLU1008E, GLU1152E, GLU152A, GLU8A, THR1006E, THR6A, TYR1005E, TYR1007E, TYR7A
• B-C: ALA1204B, ALA2161C, ALA2165C, ALA2214C, ARG1207B, ARG2133C, ARG2148C, ARG2158C, ARG2168C, ARG2171C, ARG2229C, ASN1137B, ASN1199B, ASN1211B, ASN2003C, ASN2137C, ASN2145C, ASN2151C, ASN2211C, ASP1248B, ASP2134C, ASP2164C, ASP2215C, CYS1206B, GLN1144B, GLN2002C, GLN2144C, GLU1089B, GLU1201B, GLU1205B, GLU1250B, GLU2152C, GLU2153C, GLY1090B, GLY1140B, GLY1143B, GLY1196B, GLY1197B, GLY2140C, GLY2143C, GLY2149C, GLY2190C, GLY2213C, HIS1086B, HIS2135C, HIS2230C, ILE1246B, ILE2136C, ILE2226C, LEU1138B, LEU1195B, LEU1208B, LEU1209B, LEU1212B, LEU2138C, LEU2147C, LEU2208C, LEU2209C, LEU2212C, LYS1095B, MET1087B, MET1194B, MET1219B, MET1247B, MET2001C, MET2162C, MET2194C, PHE1093B, PHE1141B, PHE1200B, PHE2141C, PHE2159C, PRO1062B, PRO1092B, PRO1139B, PRO1198B, PRO2139C, PRO2146C, PRO2150C, PRO2160C, PRO2223C, SER1033B, SER1059B, SER1142B, SER2142C, SER2163C, THR1060B, THR1202B, THR2191C, TRP1094B, TYR1088B, TYR1091B, TYR1249B, TYR2166C, TYR2192C, VAL1061B, VAL1096B, VAL1193B, VAL1203B, VAL1217B, VAL1245B, VAL2157C, VAL2193C, VAL2222C, VAL2225C, VAL2227C
• B-D: ARG1154B, ARG154D, ASP1009B, ASP1012B, ASP12D, ASP9D, GLN1011B, GLN11D, GLU1008B, GLU1152B, GLU152D, GLU8D, LYS1015B, THR1006B, THR6D, TYR1007B, TYR7D
• B-F: ALA1065B, ALA2065F, ASN1055B, ASN2055F, ASP1012B, ASP1049B, ASP2012F, ASP2049F, GLU1052B, GLU1058B, GLU2052F, GLU2058F, GLY1063B, GLY2063F, HIS1020B, HIS2020F, ILE1053B, ILE2053F, PHE1056B, PHE2056F, PRO1054B, PRO1062B, PRO2054F, PRO2062F, SER1051B, SER2051F, TRP1016B, TRP2016F, TYR1050B, TYR2050F
• C-E: ALA1065E, ALA2065C, ASN1055E, ASN2055C, ASP1012E, ASP1049E, ASP2012C, ASP2049C, GLU1052E, GLU1058E, GLU2052C, GLU2058C, GLY1063E, GLY2063C, HIS1020E, HIS2020C, ILE1053E, ILE2053C, PHE1056E, PHE2056C, PRO1054E, PRO1062E, PRO2054C, PRO2062C, SER1051E, SER2051C, TRP1016E, TRP2016C, TYR1050E, TYR2050C
• C-F: ARG2154C, ARG2154F, ASP2009C, ASP2009F, ASP2012C, ASP2012F, GLN2011C, GLN2011F, GLU2008C, GLU2008F, GLU2152C, GLU2152F, GLY2004C, LYS2015C, THR2006C, THR2006F, TYR2005C, TYR2007C, TYR2007F
• D-E: ALA1161E, ALA1165E, ALA1214E, ALA204D, ARG1133E, ARG1148E, ARG1158E, ARG1168E, ARG1171E, ARG1229E, ARG207D, ASN1003E, ASN1137E, ASN1145E, ASN1151E, ASN1211E, ASN137D, ASN199D, ASN211D, ASP1134E, ASP1164E, ASP1215E, ASP248D, CYS206D, GLN1002E, GLN1144E, GLN144D, GLN252D, GLU1153E, GLU1189E, GLU201D, GLU205D, GLU250D, GLU89D, GLY1140E, GLY1143E, GLY1149E, GLY1190E, GLY1213E, GLY140D, GLY143D, GLY196D, GLY197D, GLY90D, HIS1135E, HIS1230E, HIS86D, ILE1136E, ILE1226E, ILE136D, ILE246D, LEU1138E, LEU1147E, LEU1208E, LEU1209E, LEU1212E, LEU138D, LEU195D, LEU208D, LEU209D, LEU212D, LYS95D, MET1162E, MET1194E, MET194D, MET219D, MET87D, PHE1141E, PHE1159E, PHE141D, PHE200D, PHE93D, PRO1139E, PRO1146E, PRO1150E, PRO1160E, PRO1223E, PRO139D, PRO198D, PRO62D, PRO92D, SER1142E, SER1163E, SER142D, SER251D, SER33D, SER59D, THR1191E, THR202D, THR60D, TRP94D, TYR1166E, TYR1192E, TYR249D, TYR88D, TYR91D, VAL1157E, VAL1193E, VAL1222E, VAL1225E, VAL1227E, VAL193D, VAL203D, VAL217D, VAL245D, VAL61D, VAL96D
• D-F: ALA161D, ALA165D, ALA214D, ALA2204F, ARG133D, ARG148D, ARG158D, ARG168D, ARG171D, ARG2207F, ARG229D, ASN137D, ASN145D, ASN151D, ASN211D, ASN2137F, ASN2199F, ASN2211F, ASN3D, ASP134D, ASP164D, ASP215D, ASP2248F, CYS2206F, GLN144D, GLN2144F, GLN2D, GLU153D, GLU189D, GLU2089F, GLU2201F, GLU2205F, GLU2250F, GLY140D, GLY143D, GLY149D, GLY190D, GLY2090F, GLY213D, GLY2140F, GLY2143F, GLY2196F, GLY2197F, HIS135D, HIS2086F, HIS230D, ILE136D, ILE2136F, ILE2246F, ILE226D, LEU138D, LEU147D, LEU208D, LEU209D, LEU212D, LEU2138F, LEU2195F, LEU2208F, LEU2209F, LEU2212F, LYS2095F, MET162D, MET194D, MET2087F, MET2194F, MET2219F, MET2247F, PHE141D, PHE159D, PHE2093F, PHE2141F, PHE2200F, PRO139D, PRO146D, PRO150D, PRO160D, PRO2062F, PRO2092F, PRO2139F, PRO2198F, PRO223D, SER142D, SER163D, SER2033F, SER2142F, THR191D, THR2060F, THR2202F, TRP2094F, TYR166D, TYR192D, TYR2088F, TYR2091F, TYR2249F, VAL157D, VAL193D, VAL2061F, VAL2096F, VAL2193F, VAL2203F, VAL2217F, VAL222D, VAL2245F, VAL225D, VAL227D
• E-F: ALA1204E, ALA2161F, ALA2165F, ALA2214F, ARG1207E, ARG2101F, ARG2133F, ARG2148F, ARG2158F, ARG2168F, ARG2171F, ARG2229F, ASN1137E, ASN1199E, ASN1211E, ASN2003F, ASN2137F, ASN2145F, ASN2151F, ASN2211F, ASP1248E, ASP2134F, ASP2164F, ASP2215F, CYS1206E, GLN1144E, GLN2002F, GLN2144F, GLU1089E, GLU1201E, GLU1205E, GLU2153F, GLU2189F, GLY1090E, GLY1140E, GLY1143E, GLY1196E, GLY1197E, GLY2140F, GLY2143F, GLY2149F, GLY2190F, GLY2213F, HIS1086E, HIS2135F, HIS2230F, ILE1136E, ILE1246E, ILE2136F, ILE2226F, LEU1138E, LEU1195E, LEU1208E, LEU1209E, LEU1212E, LEU2138F, LEU2147F, LEU2208F, LEU2209F, LEU2212F, LYS1095E, MET1087E, MET1194E, MET1219E, MET1247E, MET2001F, MET2162F, MET2194F, PHE1093E, PHE1141E, PHE1200E, PHE2141F, PHE2159F, PRO1062E, PRO1092E, PRO1139E, PRO1198E, PRO2139F, PRO2146F, PRO2150F, PRO2160F, PRO2223F, SER1033E, SER1059E, SER1142E, SER2142F, SER2163F, THR1060E, THR1202E, THR2191F, TRP1094E, TYR1088E, TYR1091E, TYR1249E, TYR2166F, TYR2192F, VAL1061E, VAL1096E, VAL1193E, VAL1203E, VAL1217E, VAL1245E, VAL2157F, VAL2193F, VAL2222F, VAL2225F, VAL2227F