1X8M

x-ray structure of pectin degrading enzyme 5-keto 4- deoxyuronate isomerase from escherichia coli

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 114
  • Norm. En. per Res.: -3.8208
• 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	-4.2956	2.4271	-25.5784	-27.4469	42	0	1	1485	0	18	17
A-C	-34.2206	-139.3227	-262.024	-435.5673	114	37	1	10607	9	45	45
A-D	0.0	0.0	-15.6915	-15.6915	14	2	0	936	0	3	4
A-F	0.0	1.139	-6.3103	-5.1713	33	0	0	698	0	16	15
B-F	-2.1179	14.1187	-20.295	-8.2942	40	0	0	1243	0	17	16
C-D	0.0	29.0743	-38.2684	-9.1941	51	12	0	3024	1	18	24
C-E	0.0	36.5879	-17.0364	19.5515	37	0	0	1020	1	17	20
D-E	0.0	28.6891	-31.4772	-2.7881	41	1	0	1841	0	14	21
D-F	-24.4983	27.0516	-211.935	-209.3817	98	23	4	9347	2	18	26

Interface residues

• A-B: ALA1187A, ALA1254A, ARG1103A, ARG1162A, ASN1157A, ASN1166A, ASN1190A, ASN1211A, ASP1147A, ASP1213A, ASP2147B, ASP2172B, GLN2096B, GLU1185A, GLU2099B, GLU2148B, GLU2175B, GLY1087A, GLY1189A, HIS1102A, LEU1186A, LEU2174B, LYS1253A, LYS2142B, LYS2143B, PRO1146A, PRO1151A, PRO1188A, PRO2140B, PRO2171B, SER2150B, THR1124A, THR1153A, THR1164A, THR2141B, TYR2098B, TYR2107B, TYR2139B, VAL1149A, VAL2144B, VAL2170B, VAL2173B
• A-C: ALA1012A, ALA1014A, ALA1133A, ALA1135A, ALA3012C, ALA3014C, ALA3133C, ALA3135C, ARG1006A, ARG1046A, ARG1077A, ARG1078A, ARG1203A, ARG3006C, ARG3046C, ARG3077C, ARG3078C, ARG3203C, ASN1265A, ASN3024C, ASN3265C, ASP1045A, ASP3045C, CYS1177A, CYS3132C, CYS3177C, GLN1007A, GLN1178A, GLN1224A, GLN1266A, GLN3007C, GLN3068C, GLN3178C, GLN3224C, GLN3266C, GLU1025A, GLU1076A, GLU1079A, GLU1175A, GLU1205A, GLU1264A, GLU3025C, GLU3076C, GLU3079C, GLU3264C, GLY1070A, GLY1263A, GLY3066C, GLY3070C, GLY3263C, HIS1010A, HIS1013A, HIS1043A, HIS1136A, HIS3010C, HIS3013C, HIS3043C, HIS3136C, ILE1009A, ILE1044A, ILE1047A, ILE3009C, ILE3044C, ILE3048C, LEU1017A, LEU1069A, LEU1179A, LEU3017C, LEU3069C, LEU3179C, LYS1110A, LYS3110C, MET1204A, MET1261A, MET3204C, PHE3026C, PHE3074C, PRO1134A, PRO1171A, PRO1242A, PRO3134C, PRO3171C, PRO3242C, SER1008A, SER1011A, SER1180A, SER1243A, SER1245A, SER3008C, SER3011C, SER3072C, SER3180C, SER3243C, THR1016A, THR1137A, THR1138A, THR1176A, THR3137C, THR3138C, THR3176C, TRP1244A, TRP3244C, TYR1041A, TYR1139A, TYR3041C, TYR3139C, VAL1005A, VAL1071A, VAL1262A, VAL1267A, VAL3005C, VAL3071C, VAL3262C, VAL3267C
• A-D: ARG4162D, ASN4157D, ASP4156D, GLU1175A, GLY1109A, GLY4155D, HIS1136A, LEU4158D, PRO1140A, THR1137A, THR1138A, THR1141A, THR4159D, TYR1139A
• A-F: ALA6187F, ALA6254F, ARG6103F, ARG6162F, ASN6157F, ASN6190F, ASN6211F, ASP1147A, ASP1172A, ASP6121F, ASP6147F, ASP6213F, GLN1096A, GLU1099A, GLU1148A, GLU1175A, GLU6185F, GLY6189F, HIS6102F, LEU1174A, LEU6186F, LYS1142A, LYS6253F, PRO1140A, PRO1171A, PRO6146F, PRO6151F, PRO6188F, SER1150A, THR6124F, THR6153F, TYR1139A, VAL1173A
• B-F: ALA2187B, ALA2254B, ARG2162B, ASN2157B, ASN2166B, ASN2190B, ASN2211B, ASP2147B, ASP2213B, ASP6147F, ASP6172F, GLN6096F, GLU2185B, GLU6099F, GLU6148F, GLU6175F, GLY2087B, GLY2189B, HIS2102B, LEU2186B, LEU6174F, LYS2253B, LYS6142F, LYS6143F, PRO2146B, PRO2151B, PRO2188B, PRO6140F, PRO6171F, SER6150F, THR2124B, THR2153B, THR2164B, THR6141F, TYR6098F, TYR6107F, TYR6139F, VAL6144F, VAL6170F, VAL6173F
• C-D: ALA3105C, ALA4187D, ARG4103D, ARG4162D, ARG4163D, ASN4157D, ASN4166D, ASN4190D, ASN4211D, ASP3104C, ASP3147C, ASP3172C, ASP4147D, ASP4156D, CYS3097C, CYS3177C, GLN3096C, GLU3099C, GLU3148C, GLU3175C, GLU4148D, GLU4185D, GLY3111C, GLY4155D, HIS3136C, HIS4102D, ILE4165D, LEU3174C, LEU4154D, LYS3110C, LYS3142C, LYS3143C, PRO3140C, PRO4146D, PRO4151D, PRO4188D, SER4150D, THR3137C, THR3138C, THR3141C, THR3145C, THR3176C, THR4145D, THR4153D, THR4164D, TYR3098C, TYR3139C, VAL3144C, VAL3173C, VAL4149D, VAL4152D
• C-E: ALA3187C, ARG3103C, ARG3162C, ASN3157C, ASN3166C, ASN3190C, ASP3147C, ASP5147E, ASP5172E, GLN5096E, GLU3148C, GLU3185C, GLU5148E, GLU5175E, HIS3102C, LEU5174E, LYS5142E, LYS5143E, PRO3146C, PRO3151C, PRO3188C, PRO5140E, PRO5171E, SER3150C, THR3145C, THR3153C, THR3164C, THR5137E, THR5138E, THR5145E, TYR5098E, TYR5139E, VAL3149C, VAL3152C, VAL5144E, VAL5149E, VAL5173E
• D-E: ALA5187E, ARG5103E, ARG5162E, ARG5163E, ASN5157E, ASN5166E, ASN5190E, ASP4147D, ASP4172D, ASP5147E, CYS4177D, GLN4096D, GLU4148D, GLU4175D, GLU5148E, GLU5185E, HIS4136D, HIS5102E, ILE5165E, LEU4174D, LEU5154E, LYS4142D, LYS4143D, PRO4140D, PRO4171D, PRO5146E, PRO5151E, PRO5188E, SER5150E, THR4137D, THR4138D, THR4141D, THR4145D, THR5153E, THR5164E, TYR4098D, TYR4139D, VAL4144D, VAL4173D, VAL5149E, VAL5152E
• D-F: ALA4014D, ALA4216D, ALA4254D, ALA6014F, ALA6216F, ALA6254F, ARG4023D, ARG4229D, ARG6023F, ARG6229F, ASN4157D, ASN4161D, ASN4190D, ASN6157F, ASN6161F, ASN6190F, ASP4018D, ASP4156D, ASP4213D, ASP4215D, ASP6018F, ASP6156F, ASP6213F, ASP6215F, CYS4217D, CYS6217F, GLN4020D, GLN4224D, GLN4226D, GLN6020F, GLN6224F, GLN6226F, GLU4227D, GLU6227F, GLY4021D, GLY4189D, GLY4223D, GLY4249D, GLY4251D, GLY6021F, GLY6189F, GLY6223F, GLY6249F, GLY6251F, HIS4220D, HIS4230D, HIS6220F, HIS6230F, ILE4231D, ILE4246D, ILE6231F, ILE6246F, LEU4017D, LEU4022D, LEU4158D, LEU4191D, LEU6017F, LEU6022F, LEU6158F, LEU6191F, LYS4015D, LYS4253D, LYS6015F, LYS6253F, MET4221D, MET4222D, MET6221F, MET6222F, PHE4219D, PHE6219F, PRO4188D, PRO4225D, PRO6188F, PRO6225F, SER4160D, SER4248D, SER6160F, SER6248F, THR4016D, THR4019D, THR4159D, THR4194D, THR4228D, THR4252D, THR6016F, THR6019F, THR6159F, THR6194F, THR6228F, THR6252F, TRP4192D, TRP6192F, VAL4218D, VAL4232D, VAL4250D, VAL6218F, VAL6232F, VAL6250F