2E48

crystal structure of human d-amino acid oxidase: substrate- free holoenzyme

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 158
  • Norm. En. per Res.: -3.3386
• Hub Node: A(3)

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	-49.7327	-67.6992	-388.014	-505.4459	154	22	0	17174	9	30	51
A-C	-6.5183	2.992	-134.869	-138.3953	98	8	5	6735	0	28	24
A-D	0.0	1.2478	-0.0127	1.2351	5	0	0	16	0	2	2
B-C	0.0	1.2575	-0.0453	1.2122	4	0	0	32	0	2	2
B-D	-12.1787	2.5555	-138.751	-148.3743	103	9	5	6996	0	27	24
C-D	-68.7452	-63.4197	-395.339	-527.5039	158	24	0	17575	8	29	50

Interface residues

• A-B: ALA1084B, ALA1207B, ALA1273B, ALA207A, ALA273A, ALA84A, ARG1115B, ARG1120B, ARG115A, ARG120A, ARG1265B, ARG1274B, ARG265A, ARG274A, ASN1083B, ASN1086B, ASN1272B, ASN272A, ASN83A, ASN86A, ASP1073B, ASP109A, ASP1109B, ASP1123B, ASP1206B, ASP123A, ASP206A, ASP73A, CYS264A, GLN1069B, GLN1234B, GLN234A, GLN69A, GLU1085B, GLU1121B, GLU1140B, GLU121A, GLU1267B, GLU140A, GLU267A, GLU85A, GLY1088B, GLY1094B, GLY1113B, GLY113A, GLY1232B, GLY232A, GLY88A, GLY94A, HIS1078B, HIS1080B, HIS1134B, HIS1212B, HIS134A, HIS212A, HIS78A, HIS80A, ILE1092B, ILE1138B, ILE1214B, ILE1230B, ILE138A, ILE214A, ILE229A, ILE230A, ILE92A, LEU1076B, LEU1089B, LEU1091B, LEU1097B, LEU1112B, LEU1117B, LEU1122B, LEU112A, LEU1137B, LEU117A, LEU122A, LEU1266B, LEU1270B, LEU137A, LEU266A, LEU270A, LEU76A, LEU89A, LEU91A, LEU97A, LYS108A, LYS1108B, LYS1116B, LYS116A, LYS1211B, LYS1271B, LYS211A, LYS271A, MET1124B, MET1210B, MET124A, MET210A, PHE1072B, PHE1090B, PHE1114B, PHE1125B, PHE1133B, PHE114A, PHE1213B, PHE125A, PHE133A, PHE213A, PHE72A, PHE90A, PRO1082B, PRO1119B, PRO1126B, PRO119A, PRO1208B, PRO1231B, PRO1268B, PRO126A, PRO208A, PRO231A, PRO268A, PRO82A, SER1077B, SER1081B, SER1093B, SER1136B, SER136A, SER77A, SER81A, SER93A, THR110A, THR1110B, THR1118B, THR1135B, THR118A, THR1233B, THR1235B, THR1269B, THR135A, THR233A, THR235A, THR269A, TRP107A, TRP1107B, TRP1209B, TRP209A, TYR1095B, TYR95A, VAL1079B, VAL1111B, VAL111A, VAL1236B, VAL236A, VAL79A
• A-C: ALA2008C, ALA2036C, ALA36A, ALA8A, ARG162A, ARG199A, ARG2038C, ARG2162C, ARG2199C, ARG2274C, ARG2279C, ARG274A, ARG279A, ARG38A, ASN143A, ASN2086C, ASN2143C, ASN2246C, ASN2251C, ASN2252C, ASN246A, ASN251A, ASN252A, ASP2037C, ASP2046C, ASP37A, ASP46A, GLN146A, GLN161A, GLN2146C, GLN2161C, GLN2234C, GLN234A, GLU150A, GLU154A, GLU2085C, GLU2150C, GLU2154C, GLU2249C, GLU2278C, GLU249A, GLU278A, GLU85A, GLY2277C, GLY2281C, GLY277A, GLY281A, HIS2256C, ILE2253C, ILE2275C, ILE2276C, ILE253A, ILE275A, ILE276A, LEU2042C, LEU2250C, LEU250A, LEU42A, LYS142A, LYS158A, LYS163A, LYS204A, LYS2142C, LYS2158C, LYS2163C, LYS2204C, PHE159A, PHE160A, PHE2039C, PHE2159C, PHE2160C, PHE2282C, PHE282A, PHE39A, PRO2041C, PRO41A, SER2248C, SER248A, THR149A, THR153A, THR2040C, THR2043C, THR2149C, THR2153C, THR2280C, THR280A, THR40A, THR43A, TRP185A, TRP2185C, TRP2247C, TRP247A, TYR2035C, TYR35A, VAL2034C, VAL2047C, VAL34A, VAL47A
• A-D: ARG274A, ARG3274D, ASN272A, ASN3272D, ASP206A
• B-C: ARG1274B, ARG2274C, ASN1272B, ASN2272C
• B-D: ALA1008B, ALA1036B, ALA3008D, ALA3036D, ARG1038B, ARG1162B, ARG1199B, ARG1274B, ARG1279B, ARG3038D, ARG3162D, ARG3199D, ARG3274D, ARG3279D, ASN1086B, ASN1143B, ASN1246B, ASN1251B, ASN1252B, ASN3143D, ASN3246D, ASN3251D, ASN3252D, ASP1037B, ASP1046B, ASP3037D, ASP3046D, ASP3206D, GLN1146B, GLN1161B, GLN1234B, GLN1254B, GLN3146D, GLN3161D, GLN3234D, GLN3254D, GLU1085B, GLU1150B, GLU1154B, GLU1165B, GLU1249B, GLU1278B, GLU3085D, GLU3150D, GLU3154D, GLU3165D, GLU3249D, GLU3278D, GLY1277B, GLY1281B, GLY3277D, GLY3281D, HIS1256B, ILE1253B, ILE1275B, ILE1276B, ILE3253D, ILE3275D, ILE3276D, LEU1042B, LEU1250B, LEU3013D, LEU3042D, LEU3250D, LYS1142B, LYS1158B, LYS1163B, LYS1204B, LYS3142D, LYS3158D, LYS3163D, PHE1039B, PHE1159B, PHE1160B, PHE1282B, PHE3039D, PHE3159D, PHE3160D, PHE3282D, PRO1041B, PRO3041D, SER1248B, SER3248D, THR1040B, THR1043B, THR1149B, THR1153B, THR1280B, THR3040D, THR3043D, THR3149D, THR3153D, THR3280D, TRP1185B, TRP1247B, TRP3185D, TRP3247D, TYR1035B, TYR3035D, VAL1034B, VAL1047B, VAL3034D, VAL3047D
• C-D: ALA2084C, ALA2207C, ALA2273C, ALA3084D, ALA3207D, ALA3273D, ARG2115C, ARG2120C, ARG2265C, ARG2274C, ARG3115D, ARG3120D, ARG3265D, ARG3274D, ASN2083C, ASN2086C, ASN2272C, ASN3083D, ASN3086D, ASN3143D, ASN3272D, ASP2073C, ASP2109C, ASP2123C, ASP2206C, ASP3073D, ASP3109D, ASP3123D, ASP3206D, CYS2264C, CYS3264D, GLN2069C, GLN2234C, GLN3069D, GLN3234D, GLU2085C, GLU2121C, GLU2140C, GLU2267C, GLU3085D, GLU3121D, GLU3140D, GLU3267D, GLY2088C, GLY2094C, GLY2113C, GLY2232C, GLY3088D, GLY3094D, GLY3113D, GLY3232D, HIS2078C, HIS2080C, HIS2134C, HIS2212C, HIS3078D, HIS3080D, HIS3134D, HIS3212D, ILE2092C, ILE2138C, ILE2214C, ILE2229C, ILE2230C, ILE3092D, ILE3138D, ILE3214D, ILE3229D, ILE3230D, LEU2076C, LEU2089C, LEU2091C, LEU2097C, LEU2112C, LEU2117C, LEU2122C, LEU2137C, LEU2266C, LEU2270C, LEU3076D, LEU3089D, LEU3091D, LEU3097D, LEU3112D, LEU3117D, LEU3122D, LEU3137D, LEU3266D, LEU3270D, LYS2108C, LYS2116C, LYS2211C, LYS2271C, LYS3108D, LYS3116D, LYS3211D, LYS3271D, MET2124C, MET2210C, MET3124D, MET3210D, PHE2072C, PHE2090C, PHE2114C, PHE2125C, PHE2133C, PHE2213C, PHE3072D, PHE3090D, PHE3114D, PHE3125D, PHE3133D, PHE3213D, PRO2082C, PRO2119C, PRO2126C, PRO2208C, PRO2231C, PRO2268C, PRO3082D, PRO3119D, PRO3126D, PRO3208D, PRO3231D, PRO3268D, SER2077C, SER2081C, SER2093C, SER2136C, SER3077D, SER3081D, SER3093D, SER3136D, THR2110C, THR2118C, THR2135C, THR2233C, THR2235C, THR2269C, THR3110D, THR3118D, THR3135D, THR3233D, THR3235D, THR3269D, TRP2107C, TRP2209C, TRP3107D, TRP3209D, TYR2074C, TYR2095C, TYR3095D, VAL2079C, VAL2111C, VAL2236C, VAL3079D, VAL3111D, VAL3236D