2J59

crystal structure of the arf1:arhgap21-arfbd complex

• Total interactions analyzed: 66
• Total true interactions: 19
• Strongest Interaction:
  • Chains: A-N
  • Int. Res.: 15
  • Norm. En. per Res.: -3.928
• Hub Node: A(4)

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	0.0	-9.1427	-38.5382	-47.6809	42	1	0	1972	2	35	39
A-D	-39.9634	1.5512	-209.258	-247.6702	85	7	0	6977	1	16	30
A-M	0.0	-4.4899	-184.634	-189.1239	81	1	8	8179	0	19	15
A-N	-10.3206	-32.7888	-15.81	-58.9194	15	1	0	545	2	14	6
B-E	-41.9888	24.4617	-180.488	-198.0151	86	7	0	6012	0	16	30
B-M	-4.086	-30.9707	-16.0055	-51.0622	13	1	0	469	2	15	5
B-N	-21.0934	-2.3766	-183.346	-206.816	80	2	8	8257	0	19	14
B-O	-24.6523	-20.7636	-67.0352	-112.4511	42	6	0	2754	2	20	21
C-F	-36.1852	-8.2156	-167.121	-211.5217	88	6	0	5888	0	16	29
C-N	-22.2798	-5.0564	-61.1769	-88.5131	39	3	0	2607	1	20	21
C-O	-10.2816	-13.1328	-176.999	-200.4134	74	3	7	7676	1	19	13
D-N	0.0	0.0	-5.9696	-5.9696	15	0	0	295	0	11	2
D-P	-13.4177	2.2337	-191.837	-203.0209	79	4	9	8590	1	18	14
E-M	-2.294	0.0	-8.8479	-11.1419	10	0	0	224	0	8	2
E-O	-19.0357	-5.3552	-55.0726	-79.4635	21	5	0	1585	0	9	4
E-Q	0.0	-7.2905	-176.208	-183.4985	79	2	8	7927	1	19	13
F-N	-11.4415	-5.549	-47.8585	-64.849	19	3	0	1496	0	8	4
F-R	-18.9217	-7.2778	-182.015	-208.2146	79	3	7	8163	1	19	13
N-O	0.0	4.3898	-7.578	-3.1882	15	1	0	550	0	6	12

Interface residues

• A-B: ALA112A, ALA112B, ARG104A, ARG104B, ARG109A, ARG109B, ARG75A, ARG75B, ARG79A, ARG79B, ASN101A, ASN101B, ASP114A, ASP114B, ASP72A, ASP72B, GLU102A, GLU102B, GLU105A, GLU105B, GLU106A, GLU106B, GLU113A, GLU113B, GLU115A, GLU115B, HIS80A, HIS80B, LEU111A, LEU111B, LEU77A, LEU77B, LYS73A, LYS73B, MET108A, MET108B, MET110A, MET110B, PHE82A, PHE82B, PRO76A, PRO76B
• A-D: ALA136A, ALA136D, ALA137A, ALA137D, ALA157A, ALA157D, ARG149A, ARG149D, ARG151A, ARG151D, ARG178A, ARG178D, ASN132D, ASN135A, ASN135D, ASN152A, ASN152D, ASN175A, ASN175D, ASN179A, ASN179D, ASP141A, ASP141D, ASP171A, ASP171D, GLN128A, GLN128D, GLN156A, GLN156D, GLN176A, GLN176D, GLU138A, GLU138D, GLU168A, GLU168D, GLY144A, GLY144D, GLY165A, GLY165D, GLY169A, GLY169D, HIS146A, HIS146D, HIS150A, HIS150D, ILE139A, ILE139D, ILE155A, ILE155D, LEU121A, LEU121D, LEU122A, LEU122D, LEU145A, LEU145D, LEU148A, LEU148D, LEU170A, LEU170D, LEU173A, LEU173D, LYS142A, LYS142D, LYS59A, LYS59D, MET134A, MET134D, SER147A, SER147D, SER174A, SER174D, THR140A, THR140D, TRP153A, TRP153D, TRP172A, TRP172D, TYR154A, TYR154D, TYR167A, TYR167D, TYR58A, TYR58D, VAL120A, VAL120D
• A-M: ARG1009M, ARG1024M, ARG1050M, ARG1055M, ARG1056M, ARG19A, ARG79A, ASN1006M, ASN1049M, ASN1061M, ASN1062M, ASN52A, ASN84A, ASP1025M, ASP1051M, ASP67A, ASP996M, CYS993M, GLN1035M, GLN83A, GLU1001M, GLU1042M, GLU1043M, GLU1059M, GLU41A, GLU54A, GLY1046M, GLY50A, GLY69A, HIS80A, ILE1031M, ILE1053M, ILE1057M, ILE42A, ILE46A, ILE49A, ILE74A, ILE995M, ILE997M, LEU1028M, LEU1052M, LEU1063M, LEU34A, LEU39A, LEU71A, LEU77A, LEU994M, LYS1003M, LYS1005M, LYS1032M, LYS1058M, LYS38A, LYS73A, MET1027M, PHE1008M, PHE51A, PHE82A, PRO47A, PRO76A, SER1000M, SER1054M, SER998M, THR1002M, THR1045M, THR31A, THR32A, THR44A, THR45A, THR48A, THR55A, THR64A, TRP66A, TRP78A, TYR1060M, TYR35A, TYR81A, TYR999M, VAL1047M, VAL43A, VAL53A, VAL68A
• A-N: ARG104A, ARG1050N, ARG149A, ASN1041N, ASP1044N, ASP1051N, GLU1042N, GLU1043N, GLY1046N, GLY144A, HIS146A, HIS150A, LEU148A, SER147A, VAL1047N
• B-E: ALA125E, ALA136B, ALA136E, ALA137B, ALA137E, ALA157B, ALA157E, ARG104E, ARG149B, ARG149E, ARG151B, ARG151E, ARG178B, ARG178E, ASN132B, ASN132E, ASN135B, ASN135E, ASN152B, ASN152E, ASN175B, ASN175E, ASN179B, ASN179E, ASP141B, ASP141E, ASP171B, ASP171E, GLN128B, GLN128E, GLN156B, GLN156E, GLN176B, GLN176E, GLU138B, GLU138E, GLU168B, GLU168E, GLY144B, GLY144E, GLY165B, GLY169B, GLY169E, HIS146B, HIS146E, HIS150B, HIS150E, ILE139B, ILE139E, ILE155B, ILE155E, LEU121B, LEU121E, LEU122B, LEU122E, LEU145B, LEU145E, LEU148E, LEU170B, LEU170E, LEU173B, LEU173E, LYS142B, LYS142E, LYS59B, LYS59E, MET134B, MET134E, SER147B, SER147E, SER174B, SER174E, THR140B, THR140E, TRP153B, TRP153E, TRP172B, TRP172E, TYR154B, TYR154E, TYR167B, TYR167E, TYR58B, TYR58E, VAL120B, VAL120E
• B-M: ARG104B, ARG1050M, ARG149B, ASN1041M, ASP1044M, GLU1042M, GLU1043M, GLY144B, HIS146B, HIS150B, LEU148B, SER147B, VAL1047M
• B-N: ARG1009N, ARG1024N, ARG1050N, ARG1055N, ARG1056N, ARG19B, ARG79B, ASN1006N, ASN1049N, ASN1061N, ASN1062N, ASN52B, ASN84B, ASP1025N, ASP1051N, ASP67B, ASP996N, CYS993N, GLN1035N, GLN83B, GLU1001N, GLU1042N, GLU1043N, GLU1059N, GLU41B, GLU54B, GLY1046N, GLY50B, GLY69B, HIS80B, ILE1031N, ILE1053N, ILE1057N, ILE42B, ILE46B, ILE49B, ILE74B, ILE995N, ILE997N, LEU1028N, LEU1052N, LEU1063N, LEU34B, LEU39B, LEU71B, LEU77B, LEU994N, LYS1003N, LYS1005N, LYS1032N, LYS1058N, LYS38B, LYS73B, MET1027N, PHE1008N, PHE51B, PHE82B, PRO47B, PRO76B, SER1000N, SER1054N, SER998N, THR1045N, THR1048N, THR31B, THR32B, THR44B, THR45B, THR48B, THR64B, TRP66B, TRP78B, TYR1060N, TYR35B, TYR81B, TYR999N, VAL1047N, VAL43B, VAL53B, VAL68B
• B-O: ALA1021O, ALA160B, ARG1004O, ARG1024O, ASN1006O, ASN60B, ASP1023O, ASP164B, CYS159B, GLN1020O, GLN959O, GLU1022O, GLU41B, GLU57B, GLY163B, GLY165B, GLY40B, HIS938O, ILE42B, LEU166B, LEU37B, LEU39B, LYS1003O, LYS1005O, LYS36B, LYS38B, LYS59B, LYS958O, MET960O, PRO956O, SER162B, THR1002O, THR161B, THR44B, TRP936O, TRP957O, TYR167B, TYR35B, TYR58B, VAL1007O, VAL43B, VAL56B
• C-F: ALA125F, ALA136C, ALA136F, ALA137C, ALA137F, ALA157C, ALA157F, ARG104C, ARG149C, ARG149F, ARG151C, ARG151F, ARG178C, ARG178F, ASN132C, ASN132F, ASN135C, ASN135F, ASN152C, ASN152F, ASN175C, ASN175F, ASN179C, ASN179F, ASP141C, ASP141F, ASP171C, ASP171F, GLN128C, GLN128F, GLN156C, GLN156F, GLN176C, GLN176F, GLU138C, GLU138F, GLU168C, GLU168F, GLY144C, GLY144F, GLY165C, GLY165F, GLY169C, GLY169F, HIS146C, HIS146F, HIS150C, HIS150F, ILE139C, ILE139F, ILE155C, ILE155F, LEU121C, LEU121F, LEU122C, LEU122F, LEU145C, LEU145F, LEU148C, LEU148F, LEU170C, LEU170F, LEU173C, LEU173F, LYS142C, LYS142F, LYS59C, LYS59F, MET134C, MET134F, SER147C, SER147F, SER174C, SER174F, THR140C, THR140F, TRP153C, TRP153F, TRP172C, TRP172F, TYR154C, TYR154F, TYR167C, TYR167F, TYR58C, TYR58F, VAL120C, VAL120F
• C-N: ALA1021N, ALA160C, ARG1004N, ARG1024N, ASN1006N, ASN60C, ASP1023N, ASP164C, GLN1020N, GLN959N, GLU1022N, GLU41C, GLU57C, GLY163C, GLY40C, HIS938N, ILE42C, LEU166C, LEU37C, LEU39C, LYS1003N, LYS1005N, LYS36C, LYS38C, LYS59C, LYS958N, MET960N, PRO956N, SER162C, THR1002N, THR161C, TRP936N, TRP957N, TYR167C, TYR35C, TYR58C, VAL1007N, VAL43C, VAL56C
• C-O: ARG1009O, ARG1024O, ARG1050O, ARG1055O, ARG1056O, ARG19C, ASN1006O, ASN1049O, ASN1061O, ASN52C, ASP1025O, ASP1051O, ASP67C, ASP996O, CYS993O, GLN1035O, GLU1001O, GLU1042O, GLU1059O, GLU41C, GLU54C, GLY1046O, GLY50C, GLY69C, HIS80C, ILE1031O, ILE1053O, ILE1057O, ILE42C, ILE46C, ILE49C, ILE74C, ILE995O, ILE997O, LEU1028O, LEU1052O, LEU34C, LEU39C, LEU77C, LEU994O, LYS1003O, LYS1005O, LYS1032O, LYS1058O, LYS38C, LYS73C, MET1027O, PHE1008O, PHE51C, PRO47C, PRO76C, SER1000O, SER1054O, SER998O, THR1002O, THR1045O, THR31C, THR32C, THR44C, THR45C, THR48C, THR55C, THR64C, TRP66C, TRP78C, TYR1060O, TYR35C, TYR81C, TYR999O, VAL1047O, VAL43C, VAL53C, VAL65C, VAL68C
• D-N: ARG1050N, ARG149D, ARG178D, ASN1039N, ASN1041N, ASN152D, ASN179D, ASP1044N, GLN176D, GLN180D, GLU1042N, GLU1043N, HIS150D, LEU1040N, VAL1047N
• D-P: ARG1009P, ARG1024P, ARG1050P, ARG1055P, ARG1056P, ARG19D, ARG79D, ASN1006P, ASN1049P, ASN1061P, ASN1062P, ASN52D, ASN84D, ASP1025P, ASP1051P, ASP67D, ASP996P, CYS993P, GLN1035P, GLN83D, GLU1001P, GLU1042P, GLU1059P, GLU41D, GLU54D, GLY1046P, GLY50D, GLY69D, HIS80D, ILE1031P, ILE1053P, ILE1057P, ILE42D, ILE46D, ILE49D, ILE74D, ILE995P, ILE997P, LEU1028P, LEU1052P, LEU1063P, LEU34D, LEU39D, LEU71D, LEU77D, LEU994P, LYS1003P, LYS1005P, LYS1032P, LYS1058P, LYS38D, LYS73D, MET1027P, PHE1008P, PHE51D, PHE82D, PRO47D, PRO76D, SER1000P, SER1054P, SER998P, THR1002P, THR1045P, THR31D, THR32D, THR44D, THR45D, THR48D, THR64D, TRP66D, TRP78D, TYR1060P, TYR35D, TYR81D, TYR999P, VAL1047P, VAL43D, VAL53D, VAL68D
• E-M: ASN1039M, ASN1041M, ASN152E, ASN179E, ASP1044M, GLN180E, GLU1042M, GLU1043M, HIS150E, LEU1040M
• E-O: ALA133E, ALA136E, ALA157E, ARG976O, ARG97E, ASN132E, ASN135E, ASN95E, ASP129E, ASP974O, CYS159E, GLN128E, GLN978O, GLU977O, LEU130E, LYS127E, LYS973O, LYS975O, MET134E, PRO131E, SER94E
• E-Q: ARG1009Q, ARG1024Q, ARG1050Q, ARG1055Q, ARG1056Q, ARG19E, ARG79E, ASN1006Q, ASN1049Q, ASN1061Q, ASN1062Q, ASN52E, ASN84E, ASP1025Q, ASP1051Q, ASP67E, ASP996Q, CYS993Q, GLN1035Q, GLN83E, GLU1001Q, GLU1042Q, GLU1059Q, GLU41E, GLU54E, GLY1046Q, GLY50E, GLY69E, HIS80E, ILE1031Q, ILE1053Q, ILE1057Q, ILE42E, ILE46E, ILE49E, ILE74E, ILE995Q, ILE997Q, LEU1028Q, LEU1052Q, LEU1063Q, LEU34E, LEU39E, LEU71E, LEU77E, LEU994Q, LYS1003Q, LYS1005Q, LYS1032Q, LYS1058Q, LYS38E, LYS73E, MET1027Q, PHE1008Q, PHE51E, PRO47E, PRO76E, SER1000Q, SER1054Q, SER998Q, THR1002Q, THR1045Q, THR1048Q, THR31E, THR32E, THR44E, THR45E, THR48E, THR64E, TRP66E, TRP78E, TYR1060Q, TYR35E, TYR81E, TYR999Q, VAL1047Q, VAL43E, VAL53E, VAL68E
• F-N: ALA133F, ALA157F, ARG976N, ARG97F, ASN132F, ASN135F, ASN95F, ASP129F, ASP974N, GLN128F, GLN978N, GLU977N, LEU130F, LYS127F, LYS973N, LYS975N, MET134F, PRO131F, SER94F
• F-R: ARG1009R, ARG1024R, ARG1050R, ARG1055R, ARG1056R, ARG19F, ARG79F, ASN1006R, ASN1049R, ASN1061R, ASN1062R, ASN52F, ASN84F, ASP1025R, ASP1051R, ASP67F, ASP996R, CYS993R, GLN1035R, GLN83F, GLU1001R, GLU1042R, GLU1059R, GLU41F, GLU54F, GLY1046R, GLY50F, GLY69F, HIS80F, ILE1031R, ILE1053R, ILE1057R, ILE42F, ILE46F, ILE49F, ILE74F, ILE995R, ILE997R, LEU1028R, LEU1052R, LEU1063R, LEU34F, LEU39F, LEU71F, LEU77F, LEU994R, LYS1003R, LYS1005R, LYS1032R, LYS1058R, LYS38F, LYS73F, MET1027R, PHE1008R, PHE51F, PHE82F, PRO47F, PRO76F, SER1000R, SER1054R, SER998R, THR1045R, THR1048R, THR31F, THR32F, THR44F, THR45F, THR48F, THR64F, TRP66F, TRP78F, TYR1060R, TYR35F, TYR81F, TYR999R, VAL1047R, VAL43F, VAL53F, VAL68F
• N-O: ARG1004N, ARG1004O, ARG1024N, ARG1024O, ASN1006O, LYS1003N, LYS1003O, LYS1005N, LYS1005O, SER1000N, SER1000O, THR1002N, THR1002O, TYR999N, TYR999O