1LOS

crystal structure of orotidine monophosphate decarboxylase mutant deltar203a complexed with 6-azaump

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 167
  • Norm. En. per Res.: -3.6271
• 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	-93.7747	-40.4424	-471.508	-605.7252	167	14	15	18748	6	38	37
A-C	-31.0311	-85.7828	-174.661	-291.4749	88	19	0	7072	6	68	56
C-D	-90.8734	-37.8439	-459.776	-588.4933	166	14	14	18709	6	38	37

Interface residues

• A-B: ALA1018B, ALA103A, ALA1069B, ALA1074B, ALA1086B, ALA1090B, ALA1103B, ALA1131B, ALA1138B, ALA1139B, ALA1143B, ALA1203B, ALA131A, ALA138A, ALA139A, ALA143A, ALA18A, ALA203A, ALA69A, ALA74A, ALA86A, ALA90A, ARG1085B, ARG1144B, ARG144A, ARG85A, ASN1080B, ASN80A, ASP1020B, ASP104A, ASP1054B, ASP1070B, ASP1075B, ASP1104B, ASP1140B, ASP1148B, ASP140A, ASP148A, ASP20A, ASP54A, ASP70A, ASP75A, CYS1084B, CYS84A, GLN1136B, GLN136A, GLU1051B, GLU1078B, GLU1081B, GLU1125B, GLU1132B, GLU1141B, GLU125A, GLU132A, GLU141A, GLU51A, GLU78A, GLU81A, GLY102A, GLY1044B, GLY1052B, GLY1099B, GLY1102B, GLY1130B, GLY1137B, GLY1146B, GLY1181B, GLY130A, GLY137A, GLY146A, GLY181A, GLY44A, GLY52A, GLY99A, HIS1098B, HIS1128B, HIS128A, HIS98A, ILE1056B, ILE1076B, ILE1083B, ILE1095B, ILE1135B, ILE1142B, ILE135A, ILE142A, ILE56A, ILE76A, ILE83A, ILE95A, ILE96A, LEU1021B, LEU1047B, LEU1049B, LEU1122B, LEU1123B, LEU1149B, LEU1207B, LEU122A, LEU123A, LEU149A, LEU207A, LEU21A, LEU47A, LEU49A, LYS1042B, LYS1072B, LYS1082B, LYS1089B, LYS42A, LYS72A, LYS82A, LYS89A, MET1019B, MET1022B, MET1053B, MET1126B, MET1133B, MET1145B, MET126A, MET133A, MET145A, MET19A, MET22A, MET53A, PHE100A, PHE1071B, PHE1088B, PHE1100B, PHE1134B, PHE134A, PHE71A, PRO101A, PRO1046B, PRO1077B, PRO1101B, PRO1129B, PRO1180B, PRO129A, PRO180A, PRO46A, PRO77A, SER1050B, SER105A, SER1105B, SER1127B, SER127A, SER50A, THR1079B, THR1087B, THR1124B, THR1159B, THR124A, THR159A, THR79A, THR87A, TYR1045B, TYR1206B, TYR206A, TYR45A, VAL1048B, VAL106A, VAL1073B, VAL1097B, VAL1106B, VAL48A, VAL73A
• A-C: ALA113A, ALA2057C, ALA2086C, ALA2090C, ALA2092C, ALA2094C, ALA2113C, ALA57A, ALA86A, ALA90A, ALA92A, ALA94A, ARG118A, ARG2035C, ARG2060C, ARG2062C, ARG2066C, ARG2085C, ARG2118C, ARG35A, ARG4A, ARG5A, ARG60A, ARG66A, ARG85A, ASN111A, ASN153A, ASN2013C, ASN2111C, ASN2153C, ASP10A, ASP174A, ASP2039C, ASP2093C, ASP39A, ASP7A, ASP93A, CYS2065C, CYS65A, GLU114A, GLU115A, GLU119A, GLU2036C, GLU2058C, GLU2114C, GLU2115C, GLU2119C, GLY117A, GLY2032C, GLY2064C, GLY2091C, GLY2117C, GLY64A, GLY91A, ILE2038C, ILE2056C, ILE2067C, ILE56A, ILE67A, LEU2028C, LYS152A, LYS2061C, LYS2089C, LYS2152C, LYS61A, LYS89A, MET116A, MET2116C, MET9A, PHE121A, PHE176A, PHE2059C, PHE2063C, PHE2088C, PHE59A, PHE88A, SER175A, SER3A, THR2087C, THR40A, THR87A, VAL112A, VAL11A, VAL120A, VAL2112C, VAL41A, VAL6A, VAL8A
• C-D: ALA2018C, ALA2069C, ALA2074C, ALA2086C, ALA2090C, ALA2103C, ALA2131C, ALA2138C, ALA2139C, ALA2143C, ALA2203C, ALA3018D, ALA3069D, ALA3074D, ALA3086D, ALA3090D, ALA3103D, ALA3131D, ALA3138D, ALA3139D, ALA3143D, ALA3203D, ARG2085C, ARG2144C, ARG3085D, ARG3144D, ASN2080C, ASN3080D, ASP2020C, ASP2054C, ASP2070C, ASP2075C, ASP2104C, ASP2140C, ASP2148C, ASP3020D, ASP3054D, ASP3070D, ASP3075D, ASP3104D, ASP3140D, CYS2084C, CYS3084D, GLN2136C, GLN3136D, GLU2051C, GLU2078C, GLU2081C, GLU2132C, GLU2141C, GLU3051D, GLU3078D, GLU3081D, GLU3125D, GLU3132D, GLU3141D, GLY2044C, GLY2052C, GLY2099C, GLY2102C, GLY2130C, GLY2137C, GLY2146C, GLY2181C, GLY2202C, GLY3044D, GLY3052D, GLY3099D, GLY3102D, GLY3130D, GLY3137D, GLY3146D, GLY3181D, GLY3202D, HIS2098C, HIS2128C, HIS3098D, HIS3128D, ILE2056C, ILE2076C, ILE2083C, ILE2095C, ILE2135C, ILE2142C, ILE3056D, ILE3076D, ILE3083D, ILE3095D, ILE3096D, ILE3135D, ILE3142D, LEU2021C, LEU2047C, LEU2049C, LEU2122C, LEU2123C, LEU2149C, LEU2207C, LEU3021D, LEU3047D, LEU3049D, LEU3122D, LEU3123D, LEU3149D, LEU3207D, LYS2042C, LYS2072C, LYS2082C, LYS2089C, LYS3042D, LYS3072D, LYS3082D, LYS3089D, MET2019C, MET2022C, MET2053C, MET2126C, MET2133C, MET2145C, MET3019D, MET3022D, MET3053D, MET3126D, MET3133D, MET3145D, PHE2071C, PHE2088C, PHE2100C, PHE2134C, PHE3071D, PHE3100D, PHE3134D, PRO2046C, PRO2077C, PRO2101C, PRO2129C, PRO2180C, PRO3046D, PRO3077D, PRO3101D, PRO3129D, PRO3180D, SER2050C, SER2105C, SER2127C, SER3050D, SER3105D, SER3127D, THR2079C, THR2087C, THR2159C, THR3079D, THR3087D, THR3124D, THR3159D, TYR2045C, TYR2206C, TYR3045D, TYR3206D, VAL2048C, VAL2073C, VAL2106C, VAL2182C, VAL3048D, VAL3073D, VAL3106D