3KG7

dehydratase domain from curh module of curacin polyketide synthase

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 63
  • Norm. En. per Res.: -3.6342
• Hub Node: A(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
A-C	-34.0129	-50.8199	-144.12	-228.9528	63	4	5	5765	4	12	16
A-D	0.0	8.3045	-19.5825	-11.278	13	1	0	801	0	2	2
B-C	0.0	-6.0367	-24.6567	-30.6934	23	2	0	1213	0	5	6
B-D	-34.5476	-49.6345	-143.702	-227.8841	64	6	3	5671	4	12	17

Interface residues

• A-C: ALA949A, ALA949C, ARG1038A, ARG1038C, ASN944A, ASN944C, GLN1019A, GLN1019C, GLN1043A, GLN1043C, GLN1047A, GLN1047C, GLN1048A, GLN1048C, GLN953A, GLN953C, GLN958A, GLN958C, GLU1017A, GLU1017C, GLU1034A, GLU1034C, GLU1045A, GLU1045C, GLU947A, GLU947C, GLY952A, GLY952C, HIS1023A, HIS1023C, HIS957A, HIS957C, ILE955A, ILE955C, LEU1020A, LEU1020C, LEU1022A, LEU1022C, LEU946A, LEU946C, LEU948A, LEU948C, LYS945A, LYS945C, PHE1032A, PHE1032C, PHE1036A, PHE1036C, SER1037A, SER1037C, SER950A, SER950C, THR1018A, THR1018C, THR951A, THR951C, THR954A, TRP1046A, TRP1046C, TYR956A, TYR956C, VAL1035A, VAL1035C
• A-D: ALA1025A, ASN1027A, ASN1057A, ASN1185D, ASP1026A, GLN1031A, GLN1187D, GLU1056A, GLU1186D, GLY1029A, LEU1188D, LYS1030A, VAL1028A
• B-C: ARG1215C, ASN1027B, ASN1057B, ASN1185C, ASP1026B, ASP1151C, GLN1187C, GLN1189C, GLU1056B, GLU1186C, GLY1029B, LEU1188C, LYS1030B, LYS1214C, PRO1058B, PRO1060B, PRO1061B, SER1149C, SER1152C, THR1190C, TRP1159C, VAL1028B, VAL1154C
• B-D: ALA949B, ALA949D, ARG1038B, ARG1038D, ASN944B, ASN944D, GLN1019B, GLN1019D, GLN1043B, GLN1043D, GLN1047B, GLN1047D, GLN1048B, GLN1048D, GLN953B, GLN953D, GLN958B, GLN958D, GLU1017B, GLU1017D, GLU1034B, GLU1034D, GLU1045B, GLU1045D, GLU947B, GLU947D, GLY952B, GLY952D, HIS1023B, HIS1023D, HIS957B, HIS957D, ILE955B, ILE955D, LEU1020B, LEU1020D, LEU1022B, LEU1022D, LEU946B, LEU946D, LEU948B, LEU948D, LYS945B, LYS945D, PHE1032B, PHE1032D, PHE1036B, PHE1036D, SER1037B, SER1037D, SER950B, SER950D, THR1018B, THR1018D, THR951B, THR951D, THR954B, THR954D, TRP1046B, TRP1046D, TYR956B, TYR956D, VAL1035B, VAL1035D