2HN2

crystal structure of the cora mg2+ transporter homologue from t. maritima in complex with divalent cations

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 215
  • Norm. En. per Res.: -3.1134
• 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	-64.382	-114.3322	-465.335	-644.0492	219	38	13	22056	10	97	67
A-C	0.0	0.0	-1.4211	-1.4211	23	0	0	269	0	0	3
A-D	0.0	0.0	-1.3728	-1.3728	23	0	0	267	0	0	3
A-E	-75.3913	-111.5428	-471.612	-658.5461	216	41	13	22064	9	97	65
B-C	-71.381	-118.3869	-479.608	-669.3759	215	52	14	22530	8	95	67
B-D	0.0	0.0	-1.2912	-1.2912	22	0	0	255	0	0	3
B-E	0.0	0.0	-1.2014	-1.2014	22	0	0	239	0	0	3
C-D	-72.4015	-110.5355	-425.362	-608.299	216	39	13	21404	11	95	67
C-E	0.0	0.0	-1.2106	-1.2106	23	0	0	242	0	0	3
D-E	-70.653	-96.7332	-447.373	-614.7592	212	43	13	21445	9	94	65

Interface residues

• A-B: ALA1176A, ALA1262A, ALA1298A, ALA1308A, ALA2298B, ALA2308B, ALA2338B, ARG1153A, ARG1158A, ARG1202A, ARG1252A, ARG1269A, ARG2096B, ARG2202B, ARG2210B, ARG2216B, ARG2222B, ARG2269B, ASN1285A, ASN1288A, ASN1314A, ASN2092B, ASN2217B, ASN2285B, ASN2288B, ASN2314B, ASP1148A, ASP1175A, ASP1179A, ASP1180A, ASP1189A, ASP1190A, ASP1193A, ASP1253A, ASP1256A, ASP1263A, ASP1270A, ASP1277A, ASP2089B, ASP2277B, GLN1260A, GLN2095B, GLN2209B, GLN2213B, GLU1186A, GLU1191A, GLU1196A, GLU1197A, GLU1201A, GLU1246A, GLU1266A, GLU1289A, GLU2088B, GLU2100B, GLU2103B, GLU2204B, GLU2206B, GLU2220B, GLU2289B, GLY1159A, GLY1274A, GLY1309A, GLY1312A, GLY2011B, GLY2015B, GLY2274B, GLY2309B, GLY2312B, GLY2326B, GLY2335B, HIS1257A, HIS2083B, HIS2094B, HIS2212B, ILE1160A, ILE1161A, ILE1188A, ILE1192A, ILE1259A, ILE1261A, ILE1271A, ILE1296A, ILE1297A, ILE1300A, ILE1307A, ILE1310A, ILE1337A, ILE2296B, ILE2297B, ILE2300B, ILE2307B, ILE2310B, LEU1184A, LEU1185A, LEU1195A, LEU1200A, LEU1214A, LEU1275A, LEU1276A, LEU1280A, LEU1294A, LEU1304A, LEU2012B, LEU2085B, LEU2218B, LEU2275B, LEU2276B, LEU2280B, LEU2294B, LEU2304B, LEU2331B, LYS1187A, LYS1245A, LYS1286A, LYS1292A, LYS1347A, LYS1348A, LYS1349A, LYS2009B, LYS2010B, LYS2098B, LYS2111B, LYS2205B, LYS2215B, LYS2223B, LYS2286B, LYS2292B, LYS2349B, MET1291A, MET1302A, MET1313A, MET1341A, MET2291B, MET2302B, MET2313B, MET2334B, PHE1182A, PHE1251A, PHE1268A, PHE1301A, PHE1306A, PHE1315A, PHE1345A, PHE2101B, PHE2102B, PHE2107B, PHE2301B, PHE2306B, PHE2315B, PRO1149A, PRO1203A, PRO1249A, PRO1303A, PRO2013B, PRO2014B, PRO2084B, PRO2097B, PRO2203B, PRO2227B, PRO2303B, PRO2328B, SER1172A, SER1273A, SER1281A, SER1282A, SER1284A, SER2234B, SER2273B, SER2281B, SER2282B, SER2284B, THR1264A, THR1267A, THR1287A, THR1295A, THR1299A, THR1305A, THR2016B, THR2207B, THR2211B, THR2287B, THR2295B, THR2299B, THR2305B, TRP2226B, TYR1168A, TYR1181A, TYR1236A, TYR1250A, TYR1279A, TYR1311A, TYR1344A, TYR2279B, TYR2311B, TYR2327B, VAL1146A, VAL1150A, VAL1183A, VAL1194A, VAL1199A, VAL1248A, VAL1254A, VAL1265A, VAL1272A, VAL1278A, VAL1283A, VAL1290A, VAL1293A, VAL2086B, VAL2093B, VAL2099B, VAL2208B, VAL2219B, VAL2278B, VAL2283B, VAL2290B, VAL2293B, VAL2329B, VAL2330B
• A-C: ALA1298A, ALA3298C, ASN1314A, ASN3314C, GLY1312A, GLY3312C, LEU1280A, LEU1294A, LEU3280C, LEU3294C, MET1291A, MET1302A, MET3291C, MET3302C, SER1281A, SER1284A, THR1287A, THR1295A, THR1305A, THR3287C, THR3305C, TYR3311C, VAL3290C
• A-D: ALA1298A, ALA4298D, ASN1314A, ASN4314D, GLY1312A, GLY4312D, LEU1280A, LEU1294A, LEU4280D, LEU4294D, MET1291A, MET1302A, MET4291D, MET4302D, SER4281D, SER4284D, THR1287A, THR1305A, THR4287D, THR4295D, THR4305D, TYR1311A, VAL1290A
• A-E: 5LYSCBGLU5186E, ALA1298A, ALA1308A, ALA1338A, ALA5176E, ALA5262E, ALA5298E, ALA5308E, ARG1096A, ARG1202A, ARG1210A, ARG1216A, ARG1222A, ARG1269A, ARG5153E, ARG5158E, ARG5202E, ARG5252E, ARG5269E, ASN1092A, ASN1217A, ASN1285A, ASN1288A, ASN1314A, ASN5285E, ASN5288E, ASN5314E, ASP1089A, ASP1277A, ASP5175E, ASP5179E, ASP5180E, ASP5189E, ASP5190E, ASP5193E, ASP5253E, ASP5256E, ASP5263E, ASP5270E, ASP5277E, CB8.00766-6.91453, GLN1095A, GLN1209A, GLN1213A, GLN5260E, GLU1088A, GLU1100A, GLU1103A, GLU1204A, GLU1206A, GLU1220A, GLU1289A, GLU5186E, GLU5196E, GLU5197E, GLU5201E, GLU5246E, GLU5266E, GLU5289E, GLY1011A, GLY1015A, GLY1274A, GLY1309A, GLY1312A, GLY1326A, GLY1335A, GLY5159E, GLY5274E, GLY5309E, GLY5312E, HIS1083A, HIS1094A, HIS1212A, HIS5257E, ILE1296A, ILE1297A, ILE1300A, ILE1307A, ILE1310A, ILE5160E, ILE5161E, ILE5188E, ILE5192E, ILE5259E, ILE5261E, ILE5271E, ILE5296E, ILE5297E, ILE5300E, ILE5307E, ILE5310E, ILE5337E, LEU1012A, LEU1085A, LEU1218A, LEU1275A, LEU1276A, LEU1280A, LEU1294A, LEU1304A, LEU1331A, LEU5184E, LEU5185E, LEU5200E, LEU5275E, LEU5276E, LEU5280E, LEU5294E, LEU5304E, LYS1009A, LYS1010A, LYS1098A, LYS1111A, LYS1205A, LYS1215A, LYS1223A, LYS1286A, LYS1292A, LYS1349A, LYS5245E, LYS5286E, LYS5292E, LYS5347E, LYS5348E, LYS5349E, MET1291A, MET1302A, MET1313A, MET1334A, MET5291E, MET5302E, MET5313E, MET5341E, PHE1101A, PHE1102A, PHE1107A, PHE1301A, PHE1306A, PHE1315A, PHE5182E, PHE5251E, PHE5268E, PHE5301E, PHE5306E, PHE5315E, PHE5345E, PRO1013A, PRO1014A, PRO1084A, PRO1097A, PRO1203A, PRO1227A, PRO1303A, PRO1328A, PRO5149E, PRO5203E, PRO5249E, PRO5303E, SER1234A, SER1273A, SER1281A, SER1282A, SER1284A, SER5172E, SER5273E, SER5281E, SER5282E, SER5284E, THR1016A, THR1207A, THR1211A, THR1287A, THR1295A, THR1299A, THR1305A, THR5264E, THR5267E, THR5287E, THR5295E, THR5299E, THR5305E, TRP1226A, TRP5226E, TYR1279A, TYR1311A, TYR1327A, TYR5168E, TYR5181E, TYR5236E, TYR5250E, TYR5279E, TYR5311E, TYR5344E, VAL1086A, VAL1093A, VAL1099A, VAL1208A, VAL1219A, VAL1278A, VAL1283A, VAL1290A, VAL1293A, VAL1329A, VAL1330A, VAL5146E, VAL5150E, VAL5183E, VAL5199E, VAL5248E, VAL5254E, VAL5265E, VAL5272E, VAL5278E, VAL5283E, VAL5290E, VAL5293E
• B-C: ALA2176B, ALA2262B, ALA2298B, ALA2308B, ALA3298C, ALA3308C, ALA3332C, ALA3338C, ARG2153B, ARG2158B, ARG2202B, ARG2252B, ARG2269B, ARG3096C, ARG3202C, ARG3210C, ARG3216C, ARG3222C, ARG3269C, ASN2285B, ASN2288B, ASN2314B, ASN3092C, ASN3217C, ASN3285C, ASN3288C, ASN3314C, ASP2175B, ASP2179B, ASP2180B, ASP2189B, ASP2190B, ASP2193B, ASP2253B, ASP2256B, ASP2263B, ASP2270B, ASP2277B, ASP3089C, ASP3277C, GLN2260B, GLN3095C, GLN3209C, GLN3213C, GLU2186B, GLU2196B, GLU2197B, GLU2201B, GLU2246B, GLU2266B, GLU2289B, GLU3088C, GLU3100C, GLU3103C, GLU3204C, GLU3206C, GLU3220C, GLU3289C, GLY2159B, GLY2274B, GLY2309B, GLY2312B, GLY3011C, GLY3015C, GLY3274C, GLY3309C, GLY3312C, GLY3326C, GLY3335C, HIS2257B, HIS3083C, HIS3094C, HIS3212C, ILE2160B, ILE2161B, ILE2188B, ILE2192B, ILE2259B, ILE2261B, ILE2271B, ILE2296B, ILE2297B, ILE2300B, ILE2307B, ILE2310B, ILE2337B, ILE3296C, ILE3297C, ILE3300C, ILE3307C, ILE3310C, LEU2184B, LEU2185B, LEU2200B, LEU2275B, LEU2276B, LEU2280B, LEU2294B, LEU2304B, LEU3012C, LEU3085C, LEU3218C, LEU3275C, LEU3276C, LEU3280C, LEU3294C, LEU3304C, LEU3331C, LYS2245B, LYS2286B, LYS2292B, LYS2347B, LYS2348B, LYS2349B, LYS3009C, LYS3010C, LYS3098C, LYS3111C, LYS3205C, LYS3215C, LYS3223C, LYS3286C, LYS3292C, LYS3349C, MET2291B, MET2302B, MET2313B, MET2341B, MET3291C, MET3302C, MET3313C, MET3334C, PHE2182B, PHE2251B, PHE2268B, PHE2301B, PHE2306B, PHE2315B, PHE2345B, PHE3101C, PHE3102C, PHE3107C, PHE3301C, PHE3306C, PHE3315C, PRO2149B, PRO2203B, PRO2249B, PRO2303B, PRO3013C, PRO3014C, PRO3084C, PRO3097C, PRO3203C, PRO3227C, PRO3303C, PRO3328C, SER2172B, SER2273B, SER2281B, SER2282B, SER2284B, SER3234C, SER3273C, SER3281C, SER3282C, SER3284C, THR2264B, THR2267B, THR2287B, THR2295B, THR2299B, THR2305B, THR3016C, THR3207C, THR3211C, THR3287C, THR3295C, THR3299C, THR3305C, TRP2226B, TRP3226C, TYR2168B, TYR2181B, TYR2236B, TYR2250B, TYR2279B, TYR2311B, TYR2344B, TYR3279C, TYR3311C, TYR3327C, VAL2146B, VAL2150B, VAL2183B, VAL2199B, VAL2248B, VAL2254B, VAL2265B, VAL2272B, VAL2278B, VAL2283B, VAL2290B, VAL2293B, VAL3086C, VAL3093C, VAL3099C, VAL3208C, VAL3219C, VAL3278C, VAL3283C, VAL3290C, VAL3293C, VAL3329C, VAL3330C
• B-D: ALA2298B, ALA4298D, ASN2314B, ASN4314D, GLY4312D, LEU2280B, LEU2294B, LEU4280D, LEU4294D, MET2291B, MET2302B, MET4291D, MET4302D, SER2281B, SER2284B, THR2287B, THR2295B, THR2305B, THR4287D, THR4305D, TYR4311D, VAL4290D
• B-E: ALA2298B, ALA5298E, ASN2314B, ASN5314E, GLY2312B, LEU2280B, LEU2294B, LEU5280E, LEU5294E, MET2291B, MET2302B, MET5291E, MET5302E, SER5281E, SER5284E, THR2287B, THR2305B, THR5287E, THR5295E, THR5305E, TYR2311B, VAL2290B
• C-D: ALA3176C, ALA3262C, ALA3298C, ALA3308C, ALA4298D, ALA4308D, ALA4338D, ARG3153C, ARG3158C, ARG3202C, ARG3252C, ARG3269C, ARG4096D, ARG4202D, ARG4210D, ARG4216D, ARG4222D, ARG4269D, ASN3285C, ASN3288C, ASN3314C, ASN4092D, ASN4217D, ASN4285D, ASN4288D, ASN4314D, ASP3175C, ASP3179C, ASP3180C, ASP3189C, ASP3190C, ASP3193C, ASP3253C, ASP3256C, ASP3263C, ASP3270C, ASP3277C, ASP4089D, ASP4277D, GLN3260C, GLN4095D, GLN4209D, GLN4213D, GLU3186C, GLU3196C, GLU3197C, GLU3201C, GLU3246C, GLU3266C, GLU3289C, GLU4088D, GLU4100D, GLU4103D, GLU4204D, GLU4206D, GLU4220D, GLU4289D, GLY3159C, GLY3274C, GLY3309C, GLY3312C, GLY4011D, GLY4015D, GLY4274D, GLY4309D, GLY4312D, GLY4326D, GLY4335D, HIS3257C, HIS4083D, HIS4094D, HIS4212D, ILE3160C, ILE3161C, ILE3188C, ILE3192C, ILE3259C, ILE3261C, ILE3271C, ILE3296C, ILE3297C, ILE3300C, ILE3307C, ILE3310C, ILE3337C, ILE4296D, ILE4297D, ILE4300D, ILE4307D, ILE4310D, LEU3184C, LEU3185C, LEU3200C, LEU3275C, LEU3276C, LEU3280C, LEU3294C, LEU3304C, LEU4012D, LEU4085D, LEU4218D, LEU4221D, LEU4275D, LEU4276D, LEU4280D, LEU4294D, LEU4304D, LEU4331D, LYS3187C, LYS3245C, LYS3286C, LYS3292C, LYS3347C, LYS3348C, LYS3349C, LYS4009D, LYS4010D, LYS4098D, LYS4111D, LYS4205D, LYS4215D, LYS4223D, LYS4286D, LYS4292D, LYS4349D, MET3291C, MET3302C, MET3313C, MET3341C, MET4291D, MET4302D, MET4313D, MET4334D, PHE3182C, PHE3251C, PHE3268C, PHE3301C, PHE3306C, PHE3315C, PHE3345C, PHE4101D, PHE4102D, PHE4107D, PHE4301D, PHE4306D, PHE4315D, PRO3149C, PRO3203C, PRO3249C, PRO3303C, PRO4013D, PRO4014D, PRO4084D, PRO4097D, PRO4203D, PRO4227D, PRO4303D, PRO4328D, SER3172C, SER3273C, SER3281C, SER3282C, SER3284C, SER4234D, SER4273D, SER4281D, SER4282D, SER4284D, THR3264C, THR3267C, THR3287C, THR3295C, THR3299C, THR3305C, THR4016D, THR4207D, THR4211D, THR4287D, THR4295D, THR4299D, THR4305D, TRP3226C, TRP4226D, TYR3168C, TYR3181C, TYR3236C, TYR3250C, TYR3279C, TYR3311C, TYR3344C, TYR4279D, TYR4311D, TYR4327D, VAL3146C, VAL3150C, VAL3183C, VAL3199C, VAL3248C, VAL3254C, VAL3265C, VAL3272C, VAL3278C, VAL3283C, VAL3290C, VAL3293C, VAL4086D, VAL4093D, VAL4099D, VAL4208D, VAL4219D, VAL4278D, VAL4283D, VAL4290D, VAL4293D, VAL4329D, VAL4330D
• C-E: ALA3298C, ALA5298E, ASN3314C, ASN5314E, GLY3312C, GLY5312E, LEU3280C, LEU3294C, LEU5280E, LEU5294E, MET3291C, MET3302C, MET5291E, MET5302E, SER3281C, SER3284C, THR3287C, THR3295C, THR3305C, THR5287E, THR5305E, TYR5311E, VAL5290E
• D-E: ALA4176D, ALA4262D, ALA4298D, ALA4308D, ALA5298E, ALA5308E, ALA5338E, ARG4153D, ARG4158D, ARG4202D, ARG4252D, ARG4269D, ARG5096E, ARG5202E, ARG5210E, ARG5216E, ARG5222E, ARG5269E, ASN4285D, ASN4288D, ASN4314D, ASN5092E, ASN5217E, ASN5285E, ASN5288E, ASN5314E, ASP4175D, ASP4179D, ASP4180D, ASP4189D, ASP4190D, ASP4193D, ASP4253D, ASP4256D, ASP4263D, ASP4270D, ASP4277D, ASP5089E, ASP5277E, GLN4260D, GLN5095E, GLN5209E, GLN5213E, GLU4186D, GLU4196D, GLU4197D, GLU4201D, GLU4246D, GLU4266D, GLU4289D, GLU5088E, GLU5100E, GLU5103E, GLU5204E, GLU5206E, GLU5220E, GLU5289E, GLY4159D, GLY4274D, GLY4309D, GLY4312D, GLY5011E, GLY5015E, GLY5274E, GLY5309E, GLY5312E, GLY5326E, GLY5335E, HIS4257D, HIS5083E, HIS5094E, HIS5212E, ILE4160D, ILE4161D, ILE4188D, ILE4192D, ILE4259D, ILE4261D, ILE4271D, ILE4296D, ILE4297D, ILE4300D, ILE4307D, ILE4310D, ILE4337D, ILE5296E, ILE5297E, ILE5300E, ILE5307E, ILE5310E, LEU4184D, LEU4185D, LEU4200D, LEU4275D, LEU4276D, LEU4280D, LEU4294D, LEU4304D, LEU5012E, LEU5085E, LEU5275E, LEU5276E, LEU5280E, LEU5294E, LEU5304E, LEU5331E, LYS4245D, LYS4286D, LYS4292D, LYS4347D, LYS4348D, LYS4349D, LYS5009E, LYS5010E, LYS5098E, LYS5111E, LYS5205E, LYS5215E, LYS5223E, LYS5286E, LYS5292E, LYS5349E, MET4291D, MET4302D, MET4313D, MET4341D, MET5291E, MET5302E, MET5313E, MET5334E, PHE4182D, PHE4251D, PHE4268D, PHE4301D, PHE4306D, PHE4315D, PHE4345D, PHE5101E, PHE5102E, PHE5107E, PHE5301E, PHE5306E, PHE5315E, PRO4149D, PRO4203D, PRO4249D, PRO4303D, PRO5013E, PRO5014E, PRO5084E, PRO5097E, PRO5203E, PRO5227E, PRO5303E, PRO5328E, SER4172D, SER4273D, SER4281D, SER4282D, SER4284D, SER5234E, SER5273E, SER5281E, SER5284E, THR4264D, THR4267D, THR4287D, THR4295D, THR4299D, THR4305D, THR5016E, THR5207E, THR5211E, THR5287E, THR5295E, THR5299E, THR5305E, TRP4226D, TRP5226E, TYR4168D, TYR4181D, TYR4236D, TYR4250D, TYR4279D, TYR4311D, TYR4344D, TYR5279E, TYR5311E, TYR5327E, VAL4146D, VAL4150D, VAL4183D, VAL4199D, VAL4248D, VAL4254D, VAL4265D, VAL4272D, VAL4278D, VAL4283D, VAL4290D, VAL4293D, VAL5086E, VAL5093E, VAL5099E, VAL5208E, VAL5219E, VAL5278E, VAL5283E, VAL5290E, VAL5293E, VAL5329E, VAL5330E