2E1Q

crystal structure of human xanthine oxidoreductase mutant, glu803val

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 256
  • Norm. En. per Res.: -4.3399
• Hub Node: A(2)

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	-223.3808	-138.79	-748.843	-1111.0138	256	45	5	26874	17	75	71
A-C	-8.4966	2.4474	-34.1774	-40.2267	40	2	0	1996	0	13	9
B-C	0.0	0.0	-0.1772	-0.1772	7	0	0	80	0	8	6
C-D	-186.3072	-135.4255	-736.027	-1057.7598	252	41	6	26865	16	76	72

Interface residues

• A-B: ALA1018A, ALA1018B, ALA1020A, ALA1020B, ALA1090A, ALA1090B, ALA1120A, ALA1121A, ALA1121B, ALA1130A, ALA1130B, ALA582A, ALA582B, ALA591A, ALA591B, ALA758A, ALA758B, ALA778A, ALA778B, ALA785A, ALA785B, ARG1101A, ARG1101B, ARG1135A, ARG1135B, ARG13A, ARG13B, ARG31A, ARG31B, ARG32A, ARG32B, ARG599A, ARG599B, ARG787A, ARG787B, ARG791A, ARG791B, ARG794A, ARG794B, ARG822A, ARG822B, ARG825A, ARG825B, ASN1016A, ASN1016B, ASN1070A, ASN1070B, ASN1074A, ASN1074B, ASN602A, ASN602B, ASN786A, ASN786B, ASP1027A, ASP1027B, ASP1124A, ASP1124B, ASP596B, GLN1017A, GLN1017B, GLN586A, GLN586B, GLN774A, GLN774B, GLU1066A, GLU1066B, GLU590A, GLU590B, GLU601A, GLU601B, GLU603A, GLU603B, GLU757A, GLU757B, GLU760A, GLU760B, GLU762A, GLU762B, GLY1019A, GLY1019B, GLY1028A, GLY1028B, GLY1132A, GLY1132B, GLY35A, GLY35B, GLY589A, GLY589B, GLY756A, GLY756B, GLY759A, GLY759B, GLY821A, GLY821B, HIS1023A, HIS1023B, ILE1057A, ILE1062A, ILE1062B, ILE1064A, ILE1064B, ILE1098A, ILE1098B, ILE597A, ILE597B, ILE751A, ILE751B, ILE788A, ILE788B, LEU1015A, LEU1015B, LEU1021A, LEU1021B, LEU1022A, LEU1022B, LEU1031A, LEU1031B, LEU1032A, LEU1032B, LEU1086B, LEU1128A, LEU1128B, LEU1139A, LEU1139B, LEU34A, LEU34B, LEU581A, LEU581B, LYS1061A, LYS1061B, LYS33A, LYS33B, LYS755A, LYS755B, LYS772A, LYS772B, LYS779A, LYS779B, LYS793A, LYS793B, LYS819B, LYS95A, LYS95B, MET1123A, MET1123B, MET585A, MET585B, MET761A, MET761B, MET771A, MET771B, PHE1014A, PHE1014B, PHE1133A, PHE1133B, PHE764A, PHE764B, PRO1013A, PRO1013B, PRO1073A, PRO1073B, PRO1077A, PRO1077B, PRO1137A, PRO1137B, PRO598A, PRO598B, PRO754A, PRO754B, PRO784A, PRO784B, PRO823A, PRO823B, SER1029A, SER1029B, SER1060A, SER1060B, SER1065A, SER1065B, SER1068A, SER1068B, SER1076A, SER1076B, SER1127A, SER1127B, SER1129A, SER1129B, SER588A, SER588B, SER775A, SER775B, SER93A, THR1026A, THR1026B, THR1033A, THR1033B, THR1059A, THR1059B, THR1069A, THR1069B, THR1071A, THR1071B, THR1075A, THR1075B, THR1097A, THR1097B, THR1119A, THR1125A, THR1125B, THR1131A, THR1131B, THR1136A, THR1136B, THR820A, THR820B, THR94A, THR94B, TYR1025A, TYR1025B, TYR1063A, TYR1063B, TYR1105A, TYR1122A, TYR1122B, TYR1134A, TYR1134B, TYR593A, TYR593B, TYR600A, TYR600B, TYR818A, TYR818B, VAL1012A, VAL1012B, VAL1024A, VAL1024B, VAL1030A, VAL1030B, VAL1048A, VAL1072A, VAL1072B, VAL1118A, VAL1118B, VAL1126A, VAL1126B, VAL592A, VAL592B, VAL633B, VAL753A, VAL753B, VAL783A, VAL783B, VAL789A, VAL789B, VAL790A, VAL790B
• A-C: ALA250C, ARG1135A, ARG377C, ARG380C, ARG381C, ASN1138A, ASN1146A, ASN1149A, ASN957A, ASP247C, ASP952A, GLN251C, GLN958A, GLU401C, GLU402C, GLU961A, GLY1140A, GLY1148A, GLY378C, GLY951A, HIS252C, LEU1139A, LEU246C, LEU953A, LEU960A, LYS243C, LYS717A, LYS959A, PHE956A, PRO1137A, PRO253C, PRO400C, SER1142A, SER1147A, SER376C, SER399C, THR1145A, THR379C, THR954A, TYR1141A
• B-C: ARG413C, GLN384C, GLU451C, LYS1107B, LYS1108B, LYS371C, THR382C
• C-D: ALA1018C, ALA1018D, ALA1020C, ALA1020D, ALA1090D, ALA1121C, ALA1121D, ALA1130C, ALA1130D, ALA582C, ALA582D, ALA591C, ALA591D, ALA758C, ALA758D, ALA778C, ALA778D, ALA785C, ALA785D, ARG1101C, ARG1101D, ARG1135C, ARG1135D, ARG13C, ARG13D, ARG31C, ARG31D, ARG32C, ARG32D, ARG599C, ARG599D, ARG787C, ARG787D, ARG791C, ARG791D, ARG794C, ARG794D, ARG822C, ARG822D, ARG825C, ARG825D, ASN1016C, ASN1016D, ASN1070C, ASN1070D, ASN1074C, ASN1074D, ASN602C, ASN602D, ASN786C, ASN786D, ASP1027C, ASP1027D, ASP1124C, ASP1124D, ASP584D, GLN1017C, GLN1017D, GLN586C, GLN586D, GLN774C, GLN774D, GLU1066C, GLU1066D, GLU590C, GLU590D, GLU601C, GLU601D, GLU603C, GLU603D, GLU757C, GLU757D, GLU760C, GLU760D, GLU762C, GLU762D, GLY1019C, GLY1019D, GLY1028C, GLY1028D, GLY1132C, GLY1132D, GLY35C, GLY35D, GLY589C, GLY589D, GLY756C, GLY756D, GLY759C, GLY759D, GLY821C, GLY821D, HIS1023C, HIS1023D, ILE1057C, ILE1057D, ILE1062C, ILE1062D, ILE1064C, ILE1064D, ILE1098C, ILE1098D, ILE597C, ILE597D, ILE751C, ILE751D, ILE788C, ILE788D, LEU1015C, LEU1015D, LEU1021C, LEU1021D, LEU1022C, LEU1022D, LEU1031C, LEU1031D, LEU1032C, LEU1032D, LEU1086D, LEU1128C, LEU1128D, LEU1139C, LEU1139D, LEU34C, LEU34D, LEU581C, LEU581D, LYS1061C, LYS1061D, LYS33C, LYS33D, LYS755C, LYS755D, LYS772C, LYS772D, LYS779D, LYS793C, LYS793D, LYS819D, LYS95C, LYS95D, MET1123C, MET1123D, MET585C, MET585D, MET761C, MET761D, MET771C, MET771D, PHE1014C, PHE1014D, PHE1133C, PHE1133D, PHE764C, PHE764D, PRO1013C, PRO1013D, PRO1073C, PRO1073D, PRO1077C, PRO1077D, PRO1137C, PRO1137D, PRO598C, PRO598D, PRO754C, PRO754D, PRO784C, PRO784D, PRO823C, PRO823D, SER1029C, SER1029D, SER1060C, SER1060D, SER1065C, SER1065D, SER1068C, SER1068D, SER1076C, SER1076D, SER1127C, SER1127D, SER1129C, SER1129D, SER588C, SER588D, SER775C, SER775D, SER93C, SER93D, THR1026C, THR1026D, THR1033C, THR1033D, THR1059C, THR1059D, THR1069C, THR1069D, THR1071C, THR1071D, THR1075C, THR1075D, THR1097C, THR1097D, THR1119C, THR1125C, THR1125D, THR1131C, THR1131D, THR1136C, THR1136D, THR820C, THR820D, THR94C, THR94D, TYR1025C, TYR1025D, TYR1063C, TYR1063D, TYR1122C, TYR1122D, TYR1134C, TYR1134D, TYR593C, TYR593D, TYR600C, TYR600D, TYR818C, TYR818D, VAL1012C, VAL1012D, VAL1024C, VAL1024D, VAL1030C, VAL1030D, VAL1072C, VAL1072D, VAL1118C, VAL1118D, VAL1126C, VAL1126D, VAL592C, VAL592D, VAL753C, VAL753D, VAL783C, VAL783D, VAL789C, VAL789D, VAL790C, VAL790D