3O2X

mmp-13 in complex with selective tetrazole core inhibitor

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 90
  • Norm. En. per Res.: -2.3794
• 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	-3.8758	-11.7175	-29.2054	-44.7987	31	0	0	1663	2	6	6
A-C	-41.4972	27.8921	-200.545	-214.1502	90	4	3	7869	4	52	36
A-D	-10.3071	0.0	-35.9241	-46.2312	35	6	0	1812	0	7	9
B-D	-26.5779	36.5059	-200.825	-190.897	92	3	3	7792	4	52	37
C-D	0.0	0.3267	-45.0583	-44.7316	33	1	1	2601	0	5	9

Interface residues

• A-B: ALA2161B, ARG2109B, ARG2121B, ARG2155B, ASN2194B, ASP2158B, ASP2162B, GLY1213A, GLY1237A, GLY1248A, GLY2159B, HIS2157B, ILE1243A, ILE2160B, LEU2156B, LYS1212A, LYS1249A, LYS2115B, PHE1241A, PRO1236A, PRO2193B, SER1210A, SER1211A, SER2114B, THR1245A, THR1247A, THR2119B, THR2154B, TYR1214A, TYR1244A, TYR1246A
• A-C: ALA1161A, ALA1161C, ARG1121A, ARG1121C, ARG1155A, ARG1155C, ASN1124A, ASN1124C, ASP1128A, ASP1128C, ASP1158A, ASP1158C, ASP1174A, ASP1174C, ASP1198A, ASP1198C, ASP1202A, ASP1202C, ASP1203A, ASP1203C, ASP1204A, ASP1204C, GLU1133A, GLU1133C, GLU1135A, GLU1135C, GLU1171A, GLU1171C, GLU1205A, GLU1205C, GLY1159A, GLY1159C, GLY1168A, GLY1168C, GLY1173A, GLY1173C, GLY1180A, GLY1180C, HIS1131A, HIS1131C, HIS1157A, HIS1157C, HIS1172A, HIS1172C, HIS1200A, HIS1200C, ILE1122A, ILE1122C, ILE1160A, ILE1160C, ILE1165A, ILE1165C, ILE1169A, ILE1169C, LYS1170A, LYS1170C, MET1129A, MET1129C, MET1164A, MET1164C, PHE1167A, PHE1167C, PHE1175A, PHE1175C, PHE1201A, PHE1201C, PRO1127A, PRO1127C, PRO1177A, PRO1177C, PRO1181A, PRO1181C, SER1132A, SER1132C, SER1166A, SER1166C, THR1126A, THR1126C, THR1130A, THR1130C, THR1206A, THR1206C, TYR1125A, TYR1125C, TYR1195A, TYR1195C, VAL1123A, VAL1123C, VAL1134A, VAL1134C
• A-D: ASN1215A, ASP1128A, ASP1204A, ASP2128D, ASP2179D, ASP2204D, GLU1205A, GLU2205D, GLY1180A, GLY1183A, GLY1213A, GLY2180D, GLY2183D, GLY2213D, LEU1185A, LEU2184D, LEU2185D, LYS1212A, LYS2170D, PHE2178D, PRO1181A, PRO2127D, PRO2181D, SER1182A, SER1211A, SER2182D, THR1206A, THR1208A, THR2206D, THR2208D, TRP1207A, TRP2207D, TYR1214A, TYR1244A, TYR2214D
• B-D: ALA2161B, ALA2161D, ARG2121B, ARG2121D, ARG2155B, ARG2155D, ASN2124B, ASN2124D, ASP2128B, ASP2128D, ASP2158B, ASP2158D, ASP2174B, ASP2174D, ASP2198B, ASP2198D, ASP2202B, ASP2202D, ASP2203B, ASP2203D, ASP2204B, ASP2204D, GLU2133B, GLU2133D, GLU2135B, GLU2135D, GLU2171B, GLU2171D, GLU2205B, GLU2205D, GLY2159B, GLY2159D, GLY2168B, GLY2168D, GLY2173B, GLY2173D, GLY2180B, GLY2180D, HIS2131B, HIS2131D, HIS2157B, HIS2157D, HIS2172B, HIS2172D, HIS2200B, HIS2200D, ILE2122B, ILE2122D, ILE2160B, ILE2160D, ILE2165B, ILE2165D, ILE2169B, ILE2169D, LEU2156B, LYS2170B, LYS2170D, MET2129B, MET2129D, MET2164B, MET2164D, PHE2167B, PHE2167D, PHE2175B, PHE2175D, PHE2201B, PHE2201D, PRO2127B, PRO2127D, PRO2177B, PRO2177D, PRO2181B, PRO2181D, SER2132B, SER2132D, SER2166B, SER2166D, THR2126B, THR2126D, THR2130B, THR2130D, THR2206B, THR2206D, TRP2207D, TYR2125B, TYR2125D, TYR2195B, TYR2195D, VAL2123B, VAL2123D, VAL2134B, VAL2134D
• C-D: ALA1161C, ARG1121C, ARG1155C, ASN1117C, ASN1152C, ASP1158C, ASP1162C, ASP2235D, GLY1159C, GLY2183D, GLY2237D, HIS1157C, ILE1160C, ILE2243D, LEU1118C, LEU1156C, LEU2185D, LYS1115C, LYS2234D, MET1116C, PHE1153C, PHE2241D, PRO2236D, PRO2242D, SER2182D, THR1119C, THR1154C, THR2245D, THR2247D, TYR1120C, TYR2214D, TYR2244D, TYR2246D