1OFQ

crystal structure of the tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from saccharomyces cerevisiae in complex with manganese(ii)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 202
  • Norm. En. per Res.: -3.8292
• 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	-145.852	2.2287	-629.869	-773.4923	202	43	20	24863	4	64	66
A-C	0.0	6.2978	-9.906	-3.6081	20	0	1	576	0	0	1
A-D	0.0	0.0	-62.7432	-62.7432	40	0	3	2967	0	3	1
B-C	0.0	0.0	-62.0652	-62.0652	40	0	3	2942	0	3	1
B-D	0.0	1.7634	-9.3985	-7.6351	21	3	1	815	0	0	4
C-D	-143.3046	8.1855	-641.054	-776.1731	205	43	18	25073	4	67	73

Interface residues

• A-B: ALA1032A, ALA1179A, ALA1191A, ALA1217A, ALA1218A, ALA1219A, ALA1233A, ALA1234A, ALA2032B, ALA2169B, ALA2179B, ALA2191B, ALA2214B, ALA2217B, ALA2218B, ALA2219B, ALA2233B, ALA2234B, ARG1024A, ARG1055A, ARG1180A, ARG1188A, ARG1249A, ARG2024B, ARG2055B, ARG2114B, ARG2180B, ARG2188B, ASN1124A, ASN1133A, ASN1135A, ASN1209A, ASN1241A, ASN1274A, ASN2124B, ASN2133B, ASN2135B, ASN2209B, ASN2241B, ASN2274B, ASP1029A, ASP1161A, ASP1170A, ASP1205A, ASP1213A, ASP2029B, ASP2125B, ASP2161B, ASP2205B, ASP2213B, CYS1244A, CYS2244B, GLN1166A, GLN1185A, GLN1216A, GLN1268A, GLN2166B, GLN2185B, GLU1111A, GLU1183A, GLU1189A, GLU1242A, GLU2111B, GLU2183B, GLU2189B, GLU2242B, GLY1027A, GLY1137A, GLY1193A, GLY1203A, GLY1206A, GLY1226A, GLY1231A, GLY1240A, GLY2027B, GLY2137B, GLY2193B, GLY2203B, GLY2226B, GLY2231B, GLY2240B, HIS1187A, HIS1220A, HIS1222A, HIS1223A, HIS1230A, HIS1243A, HIS2187B, HIS2220B, HIS2222B, HIS2223B, HIS2230B, HIS2243B, ILE1025A, ILE1059A, ILE1062A, ILE1123A, ILE1134A, ILE1163A, ILE1235A, ILE2025B, ILE2059B, ILE2062B, ILE2123B, ILE2134B, ILE2163B, ILE2235B, LEU1026A, LEU1031A, LEU1138A, LEU1160A, LEU1168A, LEU1186A, LEU1190A, LEU1194A, LEU1208A, LEU2026B, LEU2031B, LEU2138B, LEU2160B, LEU2168B, LEU2186B, LEU2190B, LEU2194B, LYS1120A, LYS1136A, LYS1239A, LYS1252A, LYS1253A, LYS2120B, LYS2136B, LYS2229B, LYS2239B, LYS2252B, MET1225A, MET2159B, MET2225B, PHE1132A, PHE1196A, PHE1224A, PHE2132B, PHE2196B, PHE2224B, PRO1030A, PRO1034A, PRO1113A, PRO1165A, PRO1197A, PRO2030B, PRO2034B, PRO2113B, PRO2165B, PRO2197B, SER1033A, SER1164A, SER1184A, SER1192A, SER1195A, SER1221A, SER2033B, SER2164B, SER2184B, SER2192B, SER2195B, SER2221B, THR1131A, THR1162A, THR1181A, THR1182A, THR1204A, THR1207A, THR1228A, THR1236A, THR1237A, THR1238A, THR2115B, THR2116B, THR2131B, THR2162B, THR2181B, THR2182B, THR2204B, THR2207B, THR2228B, THR2236B, THR2237B, THR2238B, TYR1028A, TYR1167A, TYR2028B, TYR2167B, VAL1023A, VAL1117A, VAL1198A, VAL1210A, VAL1227A, VAL1232A, VAL2023B, VAL2198B, VAL2210B, VAL2227B, VAL2232B
• A-C: ALA1035A, ALA1234A, ALA3035C, ALA3234C, GLY1231A, GLY3231C, HIS1230A, HIS3230C, ILE1235A, ILE3235C, LEU1036A, LEU3036C, SER1033A, SER3033C, THR1228A, THR3228C, VAL1039A, VAL1232A, VAL3039C, VAL3232C
• A-D: ALA1032A, ALA1035A, ALA4032D, ALA4035D, ASN1133A, ASN1135A, ASN4135D, ASP1029A, ASP4029D, GLN1038A, GLN1040A, GLN1139A, GLN4038D, GLN4040D, GLN4139D, GLY1027A, GLY1231A, GLY4231D, HIS1230A, HIS4230D, LEU1031A, LEU1036A, LEU1037A, LEU4031D, LEU4036D, LEU4037D, LYS1136A, LYS4229D, PRO1030A, PRO1034A, PRO4030D, PRO4034D, SER1033A, SER4033D, TYR1028A, TYR4028D, VAL1039A, VAL1232A, VAL4039D, VAL4232D
• B-C: ALA2032B, ALA2035B, ALA3032C, ALA3035C, ASN2135B, ASN3133C, ASN3135C, ASP2029B, ASP3029C, GLN2038B, GLN2040B, GLN2139B, GLN3038C, GLN3040C, GLN3139C, GLY2231B, GLY3027C, GLY3231C, HIS2230B, HIS3230C, LEU2031B, LEU2036B, LEU2037B, LEU3031C, LEU3036C, LEU3037C, LYS2229B, LYS3136C, PRO2030B, PRO2034B, PRO3030C, PRO3034C, SER2033B, SER3033C, TYR2028B, TYR3028C, VAL2039B, VAL2232B, VAL3039C, VAL3232C
• B-D: ALA2233B, ALA2234B, ALA4233D, ALA4234D, GLY2231B, GLY4231D, HIS2230B, HIS4230D, ILE2235B, ILE4235D, LEU2036B, LEU4036D, LYS2229B, SER2033B, SER4033D, THR2228B, THR4228D, VAL2039B, VAL2232B, VAL4039D, VAL4232D
• C-D: ALA3032C, ALA3179C, ALA3191C, ALA3217C, ALA3218C, ALA3219C, ALA3233C, ALA3234C, ALA4032D, ALA4179D, ALA4191D, ALA4214D, ALA4217D, ALA4218D, ALA4219D, ALA4233D, ALA4234D, ARG3024C, ARG3055C, ARG3114C, ARG3180C, ARG3188C, ARG3249C, ARG4024D, ARG4055D, ARG4114D, ARG4180D, ARG4188D, ARG4249D, ASN3124C, ASN3133C, ASN3135C, ASN3209C, ASN3241C, ASN3274C, ASN4124D, ASN4133D, ASN4135D, ASN4209D, ASN4241D, ASN4274D, ASP3029C, ASP3161C, ASP3205C, ASP3213C, ASP4029D, ASP4125D, ASP4161D, ASP4205D, ASP4213D, CYS3244C, CYS4244D, GLN3166C, GLN3185C, GLN3216C, GLN3268C, GLN4166D, GLN4185D, GLU3111C, GLU3183C, GLU3189C, GLU3242C, GLU4111D, GLU4158D, GLU4183D, GLU4189D, GLU4242D, GLY3027C, GLY3137C, GLY3193C, GLY3203C, GLY3206C, GLY3226C, GLY3231C, GLY3240C, GLY4027D, GLY4137D, GLY4193D, GLY4203D, GLY4226D, GLY4231D, GLY4240D, HIS3187C, HIS3220C, HIS3222C, HIS3223C, HIS3230C, HIS3243C, HIS4187D, HIS4220D, HIS4222D, HIS4223D, HIS4230D, HIS4243D, ILE3025C, ILE3059C, ILE3062C, ILE3123C, ILE3134C, ILE3163C, ILE3235C, ILE4025D, ILE4059D, ILE4062D, ILE4123D, ILE4134D, ILE4163D, ILE4235D, LEU3026C, LEU3031C, LEU3138C, LEU3160C, LEU3168C, LEU3186C, LEU3190C, LEU3194C, LEU3208C, LEU4026D, LEU4031D, LEU4138D, LEU4160D, LEU4168D, LEU4186D, LEU4190D, LEU4194D, LYS3120C, LYS3136C, LYS3239C, LYS3252C, LYS3253C, LYS4120D, LYS4136D, LYS4229D, LYS4239D, LYS4252D, MET3225C, MET4159D, MET4225D, PHE3132C, PHE3196C, PHE3224C, PHE4132D, PHE4196D, PHE4224D, PRO3030C, PRO3034C, PRO3113C, PRO3165C, PRO3197C, PRO4030D, PRO4034D, PRO4113D, PRO4126D, PRO4165D, PRO4197D, SER3033C, SER3164C, SER3184C, SER3192C, SER3195C, SER3221C, SER4033D, SER4164D, SER4184D, SER4192D, SER4195D, SER4221D, THR3131C, THR3162C, THR3181C, THR3182C, THR3204C, THR3207C, THR3228C, THR3236C, THR3237C, THR3238C, THR4115D, THR4116D, THR4131D, THR4162D, THR4181D, THR4182D, THR4204D, THR4207D, THR4228D, THR4236D, THR4237D, THR4238D, TYR3028C, TYR3167C, TYR4028D, TYR4167D, VAL3023C, VAL3117C, VAL3198C, VAL3210C, VAL3227C, VAL3232C, VAL4023D, VAL4117D, VAL4198D, VAL4210D, VAL4227D, VAL4232D