3KZ1

crystal structure of the complex of pdz-rhogef dh/ph domains with gtp- gamma-s activated rhoa

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 63
  • Norm. En. per Res.: -2.7257
• 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	-31.13	-27.2579	-143.947	-202.3349	94	3	0	6990	1	37	47
A-E	-17.2599	-15.4934	-89.0777	-121.831	56	9	0	3812	2	20	14
A-F	-14.4344	-21.5724	-135.712	-171.7188	63	3	8	5923	1	15	13
B-E	-10.1434	-26.8089	-130.996	-167.9483	63	15	8	5804	2	15	12
B-F	-14.6401	-10.1255	-100.322	-125.0876	51	9	0	4238	2	19	13

Interface residues

• A-B: ALA1037A, ALA1037B, ALA1042A, ALA1042B, ALA1061A, ARG1034B, ARG1041A, ARG1041B, ARG1079B, ARG751A, ARG751B, ARG867A, ARG867B, ARG868A, ARG868B, ARG872A, ARG872B, ARG910A, ARG910B, ARG914A, ARG914B, ARG975A, ARG975B, ASN1068A, ASN1068B, ASN715A, ASP1039A, ASP1039B, ASP1066A, ASP1066B, ASP873A, ASP873B, CYS866A, CYS866B, GLN714A, GLN865A, GLN865B, GLN870A, GLN870B, GLN880A, GLN880B, GLU1058A, GLU1058B, GLU1072A, GLU1072B, GLU1075B, GLU741A, GLU861B, GLU890A, HIS718A, HIS749A, HIS749B, HIS863A, ILE1033B, ILE876A, ILE876B, LEU1062A, LEU1062B, LEU869A, LEU869B, LEU874A, LEU874B, LYS1040A, LYS1040B, LYS1067A, LYS1067B, LYS884A, LYS884B, LYS918B, MET1071B, PRO864A, PRO864B, SER1064A, SER1064B, SER1065A, SER1065B, SER748A, SER748B, SER877A, SER877B, THR1038A, THR1038B, THR1063A, THR1063B, THR1069B, THR745A, THR752A, THR752B, VAL1036A, VAL1036B, VAL1060A, VAL1060B, VAL755A, VAL755B
• A-E: ALA3E, ALA44E, ALA860A, ARG5E, ARG751A, ARG763A, ARG800A, ARG867A, ARG868A, ASN715A, ASP45E, ASP723A, CYS866A, GLN29E, GLN52E, GLN714A, GLN717A, GLN865A, GLU32E, GLU40E, GLU54E, GLU859A, GLU861A, GLY721A, HIS718A, HIS863A, ILE23E, ILE46E, ILE4E, ILE759A, LEU55E, LEU758A, LEU869A, LYS27E, LYS6E, LYS722A, LYS797A, PHE30E, PRO31E, PRO36E, PRO804A, PRO864A, SER26E, SER862A, THR719A, TRP716A, TYR34E, TYR42E, VAL33E, VAL35E, VAL43E, VAL53E, VAL720A, VAL724A, VAL725A, VAL744A
• A-F: ALA1030A, ALA1037A, ALA44F, ALA56F, ARG1034A, ARG5F, ARG68F, ARG70F, ASN41F, ASP1039A, ASP67F, ASP76F, CYS1047A, GLN1020A, GLN1055A, GLU1058A, GLU40F, GLU54F, GLY1052A, ILE1033A, ILE1045A, ILE1046A, ILE1056A, LEU1032A, LEU1051A, LEU55F, LEU57F, LEU69F, LEU72F, LEU952A, LYS1010A, LYS1040A, LYS1050A, LYS1067A, LYS6F, LYS7F, LYS978A, PHE1022A, PHE1043A, PHE1044A, PHE39F, PRO1053A, PRO1054A, PRO36F, PRO71F, PRO75F, SER1035A, SER1049A, SER26F, SER73F, SER977A, THR1038A, THR1048A, THR37F, TRP58F, TYR1057A, TYR42F, TYR66F, TYR74F, VAL1031A, VAL1036A, VAL38F, VAL43F
• B-E: ALA1030B, ALA1037B, ALA1042B, ALA44E, ALA56E, ARG1034B, ARG5E, ARG68E, ARG70E, ASN41E, ASP1039B, ASP45E, ASP59E, ASP65E, ASP67E, ASP76E, CYS1047B, GLN1055B, GLU1058B, GLU40E, GLU54E, GLY1052B, ILE1033B, ILE1045B, ILE1046B, ILE1056B, LEU1032B, LEU1051B, LEU55E, LEU57E, LEU69E, LEU72E, LEU952B, LYS1040B, LYS1050B, LYS1067B, LYS27E, LYS6E, LYS7E, LYS978B, PHE1022B, PHE1043B, PHE1044B, PHE39E, PRO1053B, PRO1054B, PRO71E, PRO75E, SER1035B, SER1049B, SER73E, THR1038B, THR1048B, THR37E, THR77E, TRP58E, TYR1057B, TYR42E, TYR66E, TYR74E, VAL1036B, VAL38E, VAL43E
• B-F: ALA3F, ALA44F, ALA56F, ARG5F, ARG751B, ARG763B, ARG800B, ARG867B, ARG868B, ASN715B, ASN740B, ASP45F, ASP723B, CYS866B, GLN29F, GLN52F, GLN717B, GLN865B, GLU32F, GLU54F, GLU859B, GLU861B, GLY721B, HIS718B, HIS863B, ILE23F, ILE46F, ILE4F, LEU55F, LEU758B, LEU869B, LYS27F, LYS6F, LYS722B, PHE30F, PRO31F, PRO864B, SER26F, SER862B, THR719B, TRP716B, TYR34F, TYR42F, VAL33F, VAL35F, VAL43F, VAL53F, VAL720B, VAL724B, VAL725B, VAL744B