1U2E

crystal structure of the c-c bond hydrolase mhpc

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 92
  • Norm. En. per Res.: -4.759
• 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	-29.2249	-26.6045	-231.001	-286.8305	71	7	1	8240	2	14	16
A-C	-105.5931	-37.3243	-277.359	-420.2764	93	21	4	10438	2	20	28
A-D	0.0	22.3464	-114.525	-92.1786	62	8	2	4988	0	8	8
B-C	-10.0853	19.6963	-102.295	-92.684	62	6	2	4485	0	8	8
B-D	-119.453	-37.0248	-281.346	-437.8238	92	21	4	10418	2	19	30
C-D	-30.007	-27.4599	-223.406	-280.8729	66	4	1	8079	3	14	15

Interface residues

• A-B: ALA1242B, ALA242A, ARG1153B, ARG1233B, ARG1236B, ARG1259B, ARG153A, ARG233A, ARG236A, ARG259A, ASN1234B, ASN234A, ASP1171B, ASP1235B, ASP1241B, ASP171A, ASP235A, ASP241A, CYS1261B, CYS261A, GLN1156B, GLN156A, GLU1149B, GLU149A, GLY1150B, GLY1232B, GLY1262B, GLY150A, GLY232A, GLY243A, GLY262A, ILE1151B, ILE1172B, ILE1257B, ILE151A, ILE172A, ILE257A, LEU1142B, LEU1168B, LEU1244B, LEU142A, LEU244A, LYS1152B, LYS152A, MET1140B, MET1146B, MET1240B, MET140A, MET146A, MET240A, PHE1143B, PHE1175B, PHE1237B, PHE143A, PHE175A, PHE237A, PRO1145B, PRO1147B, PRO1239B, PRO145A, PRO147A, PRO239A, SER1141B, SER141A, THR1144B, THR1148B, THR144A, THR148A, TRP1231B, VAL1238B, VAL238A
• A-C: ALA221A, ALA2221C, ALA2251C, ALA2272C, ALA2282C, ALA251A, ALA272A, ALA282A, ARG2233C, ARG2245C, ARG2259C, ARG2283C, ARG233A, ARG245A, ARG259A, ARG283A, ASN2234C, ASN2279C, ASN234A, ASN274A, ASN279A, ASP2241C, ASP2260C, ASP2271C, ASP241A, ASP260A, ASP271A, CYS2261C, CYS261A, GLN2275C, GLN275A, GLU2254C, GLU254A, GLY2232C, GLY2243C, GLY2249C, GLY2252C, GLY232A, GLY243A, GLY249A, GLY252A, HIS2256C, HIS2269C, HIS256A, HIS269A, ILE2229C, ILE2250C, ILE2257C, ILE229A, ILE250A, ILE257A, LEU142A, LEU2142C, LEU220A, LEU2220C, LEU2228C, LEU2244C, LEU2246C, LEU2247C, LEU2255C, LEU2276C, LEU2278C, LEU228A, LEU244A, LEU246A, LEU247A, LEU255A, LEU276A, LEU278A, MET2240C, MET240A, PHE143A, PHE175A, PHE2143C, PHE2175C, PHE2258C, PHE2273C, PHE2280C, PHE258A, PHE273A, PHE280A, PRO2284C, PRO284A, SER2248C, SER2253C, SER248A, SER253A, THR2227C, THR227A, TRP2231C, TRP231A, VAL2230C, VAL230A
• A-D: ALA221A, ALA242A, ALA251A, ALA3221D, ALA3242D, ALA3251D, ARG219A, ARG245A, ARG3219D, ARG3245D, ASP215A, ASP241A, ASP3215D, ASP3241D, GLU222A, GLY138A, GLY139A, GLY217A, GLY243A, GLY249A, GLY3138D, GLY3139D, GLY3217D, GLY3243D, GLY3249D, ILE250A, ILE3250D, LEU142A, LEU220A, LEU244A, LEU246A, LEU247A, LEU255A, LEU3142D, LEU3220D, LEU3244D, LEU3246D, LEU3247D, LYS211A, LYS3211D, MET140A, MET146A, MET240A, MET3140D, MET3146D, MET3240D, PHE143A, PHE216A, PHE3143D, PHE3216D, PRO214A, PRO218A, PRO3214D, PRO3218D, SER141A, SER248A, SER3141D, SER3248D, THR137A, THR144A, THR3137D, THR3144D
• B-C: ALA1221B, ALA1242B, ALA1251B, ALA2221C, ALA2242C, ARG1219B, ARG1245B, ARG2219C, ARG2245C, ASP1215B, ASP1241B, ASP2215C, ASP2241C, GLU1222B, GLY1138B, GLY1139B, GLY1217B, GLY1243B, GLY1249B, GLY2138C, GLY2139C, GLY2217C, GLY2243C, GLY2249C, ILE1250B, ILE2250C, LEU1142B, LEU1220B, LEU1244B, LEU1246B, LEU1247B, LEU2142C, LEU2220C, LEU2244C, LEU2246C, LEU2247C, LYS1211B, LYS2211C, MET1140B, MET1146B, MET1240B, MET2140C, MET2146C, MET2240C, PHE1143B, PHE1216B, PHE2143C, PHE2216C, PRO1145B, PRO1214B, PRO1218B, PRO2145C, PRO2214C, PRO2218C, SER1141B, SER1248B, SER2141C, SER2248C, THR1137B, THR1144B, THR2137C, THR2144C
• B-D: ALA1221B, ALA1251B, ALA1272B, ALA1282B, ALA3221D, ALA3251D, ALA3272D, ALA3282D, ARG1233B, ARG1245B, ARG1259B, ARG1283B, ARG3233D, ARG3245D, ARG3259D, ARG3283D, ASN1234B, ASN1274B, ASN1279B, ASN3234D, ASN3279D, ASP1241B, ASP1260B, ASP1271B, ASP3241D, ASP3260D, ASP3271D, CYS1261B, CYS3261D, GLN1275B, GLN3275D, GLU1254B, GLU3254D, GLY1232B, GLY1243B, GLY1249B, GLY1252B, GLY3232D, GLY3243D, GLY3249D, GLY3252D, HIS1256B, HIS1269B, HIS3256D, HIS3269D, ILE1229B, ILE1250B, ILE1257B, ILE3229D, ILE3250D, ILE3257D, LEU1142B, LEU1220B, LEU1228B, LEU1244B, LEU1246B, LEU1247B, LEU1255B, LEU1276B, LEU1278B, LEU3142D, LEU3220D, LEU3228D, LEU3244D, LEU3246D, LEU3247D, LEU3255D, LEU3276D, LEU3278D, MET1240B, MET3240D, PHE1143B, PHE1175B, PHE1258B, PHE1273B, PHE1280B, PHE3143D, PHE3175D, PHE3258D, PHE3273D, PHE3280D, PRO1284B, SER1248B, SER1253B, SER3248D, SER3253D, THR1227B, THR3227D, TRP1231B, TRP3231D, VAL1230B, VAL3230D
• C-D: ALA2242C, ALA3242D, ARG2153C, ARG2233C, ARG2236C, ARG2259C, ARG3153D, ARG3233D, ARG3236D, ARG3259D, ASN2234C, ASN3234D, ASP2171C, ASP2235C, ASP2241C, ASP3171D, ASP3235D, ASP3241D, ASP3260D, CYS2261C, CYS3261D, GLN2156C, GLU2149C, GLU3149D, GLY2150C, GLY2232C, GLY2262C, GLY3150D, GLY3232D, GLY3262D, ILE2172C, ILE2257C, ILE3172D, ILE3257D, LEU2142C, LEU2244C, LEU3142D, LEU3244D, LYS2152C, LYS3152D, MET2140C, MET2146C, MET2240C, MET3140D, MET3146D, MET3240D, PHE2143C, PHE2175C, PHE2237C, PHE3143D, PHE3175D, PHE3237D, PRO2145C, PRO2147C, PRO2239C, PRO3145D, PRO3147D, PRO3239D, SER2141C, SER3141D, THR2144C, THR2148C, THR3144D, THR3148D, VAL2238C, VAL3238D