2KMB

complex of 3'-neuac-lewis-x with a selectin-like mutant of mannose- binding protein a

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: 1-3
  • Int. Res.: 90
  • Norm. En. per Res.: -3.5778
• Hub Node: 1(2)

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
1-2	-27.699	-34.7	-252.339	-314.738	92	17	9	10834	3	29	39
1-3	-43.5191	-27.6783	-250.801	-321.9984	90	13	11	10746	2	24	39
2-3	-15.5819	-26.1459	-256.777	-298.5048	89	7	12	10689	2	28	41

Interface residues

• 1-2: ALA1001, ALA1002, ALA2152, ALA731, ALA732, ALA791, ALA792, ALA831, ALA832, ARG1182, ARG1322, ASN1152, ASN801, ASN802, ASN861, ASN862, ASN961, ASN962, CYS1282, CYS2172, GLU1172, GLU1302, GLU2182, GLU751, GLU752, GLU821, GLU822, GLU841, GLU842, GLU931, GLU932, GLY1041, GLY1081, GLY1332, HIS1162, HIS991, HIS992, ILE741, ILE742, ILE851, ILE852, LEU1272, LEU1312, LEU781, LEU782, LEU881, LEU882, LEU921, LEU922, LEU941, LEU981, LYS1051, LYS1061, LYS1091, LYS1232, LYS771, LYS772, LYS891, LYS892, LYS911, LYS912, LYS971, LYS972, MET1031, MET1032, MET1192, MET811, MET812, PHE1011, PHE1111, PHE1112, PHE1122, PHE2192, PRO2202, SER1021, SER1022, SER1071, SER1292, SER901, SER902, THR1142, THR2142, THR871, THR872, THR951, THR952, VAL1132, VAL1242, VAL1502, VAL2162, VAL761, VAL762
• 1-3: ALA1001, ALA1003, ALA2151, ALA733, ALA791, ALA793, ALA831, ALA833, ARG1181, ARG1321, ASN1151, ASN801, ASN803, ASN861, ASN863, ASN961, ASN963, CYS1281, CYS2171, GLU1171, GLU1301, GLU2181, GLU751, GLU753, GLU821, GLU823, GLU841, GLU843, GLU931, GLU933, GLY1043, GLY1083, GLY1331, HIS1161, HIS991, HIS993, ILE741, ILE743, ILE851, ILE853, LEU1271, LEU1311, LEU781, LEU783, LEU881, LEU883, LEU921, LEU923, LEU943, LEU981, LEU983, LYS1053, LYS1063, LYS1093, LYS1231, LYS771, LYS773, LYS891, LYS893, LYS911, LYS913, LYS971, LYS973, MET1031, MET1033, MET1191, MET811, MET813, PHE1013, PHE1111, PHE1121, PHE2191, SER1021, SER1023, SER1073, SER1291, SER901, SER903, THR1141, THR2141, THR871, THR873, THR951, THR953, VAL1131, VAL1241, VAL1501, VAL2161, VAL761, VAL763
• 2-3: ALA1002, ALA1003, ALA2153, ALA732, ALA792, ALA793, ALA832, ALA833, ARG1183, ARG1323, ASN1153, ASN802, ASN803, ASN862, ASN863, ASN962, ASN963, CYS1283, CYS2173, GLU1173, GLU1303, GLU1492, GLU2183, GLU752, GLU753, GLU822, GLU823, GLU842, GLU843, GLU932, GLU933, GLY1042, GLY1082, GLY1333, HIS1163, HIS992, HIS993, ILE742, ILE743, ILE852, ILE853, LEU1273, LEU1313, LEU782, LEU783, LEU882, LEU883, LEU922, LEU923, LEU942, LEU943, LEU982, LYS1052, LYS1062, LYS1092, LYS1233, LYS772, LYS773, LYS892, LYS893, LYS912, LYS913, LYS972, MET1032, MET1033, MET1193, MET812, MET813, PHE1012, PHE1113, PHE1123, PHE2193, SER1022, SER1023, SER1072, SER1293, SER902, SER903, THR1143, THR2143, THR872, THR873, THR952, THR953, VAL1133, VAL1243, VAL1503, VAL2163, VAL762