2AKZ

fluoride inhibition of enolase: crystal structure of the inhibitory complex

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 220
  • Norm. En. per Res.: -4.2395
• Hub Node: A(1)

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	-239.3841	-65.5158	-627.797	-932.6969	220	35	9	23800	10	122	139

Interface residues

• A-B: ALA1007B, ALA1032B, ALA1033B, ALA1158B, ALA1180B, ALA1185B, ALA1203B, ALA1213B, ALA1233B, ALA1396B, ALA1404B, ALA158A, ALA180A, ALA185A, ALA203A, ALA213A, ALA233A, ALA32A, ALA33A, ALA396A, ALA404A, ALA7A, ARG1008B, ARG1014B, ARG1031B, ARG1055B, ARG1178B, ARG1182B, ARG1399B, ARG1402B, ARG1411B, ARG14A, ARG178A, ARG182A, ARG31A, ARG399A, ARG402A, ARG411A, ARG55A, ARG8A, ASN1016B, ASN1069B, ASN1153B, ASN1160B, ASN1205B, ASN1215B, ASN1407B, ASN153A, ASN160A, ASN16A, ASN205A, ASN215A, ASN407A, ASP1012B, ASP1022B, ASP1052B, ASP1179B, ASP1202B, ASP1208B, ASP1259B, ASP12A, ASP1377B, ASP179A, ASP202A, ASP208A, ASP22A, ASP259A, ASP377A, ASP52A, CYS1398B, CYS398A, GLN1054B, GLN1408B, GLN408A, GLN54A, GLU1009B, GLU1020B, GLU1186B, GLU1209B, GLU1374B, GLU1376B, GLU1401B, GLU1414B, GLU1415B, GLU186A, GLU209A, GLU20A, GLU374A, GLU376A, GLU401A, GLU414A, GLU415A, GLU9A, GLY1015B, GLY1058B, GLY1060B, GLY1155B, GLY1159B, GLY1184B, GLY1193B, GLY1200B, GLY1207B, GLY1210B, GLY1211B, GLY1373B, GLY155A, GLY159A, GLY15A, GLY184A, GLY193A, GLY200A, GLY207A, GLY210A, GLY211A, GLY234A, GLY373A, GLY58A, GLY60A, HIS1157B, HIS1189B, HIS157A, HIS189A, ILE1010B, ILE10A, ILE1216B, ILE1412B, ILE216A, ILE412A, LEU1011B, LEU1029B, LEU1057B, LEU1062B, LEU1162B, LEU1183B, LEU1191B, LEU11A, LEU1217B, LEU1403B, LEU162A, LEU183A, LEU191A, LEU217A, LEU29A, LEU403A, LEU57A, LEU62A, LYS1053B, LYS1059B, LYS1161B, LYS1192B, LYS1196B, LYS1201B, LYS1261B, LYS1405B, LYS161A, LYS192A, LYS196A, LYS201A, LYS232A, LYS261A, LYS405A, LYS53A, LYS59A, MET1181B, MET1410B, MET181A, MET410A, PHE1149B, PHE1177B, PHE1212B, PHE1260B, PHE149A, PHE177A, PHE212A, PHE260A, PRO1017B, PRO1214B, PRO1263B, PRO1397B, PRO17A, PRO214A, PRO263A, PRO397A, SER1013B, SER1156B, SER1262B, SER13A, SER1400B, SER156A, SER262A, SER400A, THR1018B, THR1190B, THR1204B, THR1375B, THR1378B, THR18A, THR190A, THR204A, THR375A, THR378A, TRP1006B, TRP6A, TYR1024B, TYR1056B, TYR1188B, TYR1235B, TYR1406B, TYR188A, TYR235A, TYR24A, TYR406A, TYR56A, VAL1021B, VAL1065B, VAL1187B, VAL1206B, VAL187A, VAL206A, VAL21A