1X86

crystal structure of the dh/ph domains of leukemia-associated rhogef in complex with rhoa

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-G
  • Int. Res.: 50
  • Norm. En. per Res.: -3.5637
• 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	-60.2446	-123.1677	-353.64	-537.0523	166	27	4	15459	8	47	48
A-E	-10.6697	-21.2823	-87.0267	-118.9787	44	3	0	3445	1	20	18
A-G	-7.965	-23.1	-101.553	-132.618	61	8	0	4016	1	27	23
A-H	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	1	0
C-D	-64.74	-122.9352	-366.304	-553.9792	169	25	5	16494	8	52	50
C-E	-6.6285	-11.3933	-90.3982	-108.42	59	6	0	4213	0	31	25
C-G	-18.9888	-46.3691	-112.828	-178.1859	50	5	0	4680	2	24	23
E-F	-72.5494	-116.9416	-320.474	-509.965	153	45	4	15415	6	48	44
G-H	-48.6718	-107.1068	-369.586	-525.3646	163	36	5	16503	4	54	50

Interface residues

• A-B: ALA2B, ALA3B, ALA44B, ALA56B, ALA61B, ALA801A, ALA884A, ALA885A, ALA964A, ALA977A, ALA981A, ARG150B, ARG5B, ARG68B, ARG70B, ARG788A, ARG800A, ARG804A, ARG922A, ARG923A, ARG936A, ARG968A, ARG986A, ASN41B, ASN768A, ASN793A, ASN890A, ASN946A, ASN94B, ASN972A, ASN975A, ASN983A, ASP45B, ASP59B, ASP65B, ASP67B, ASP76B, ASP78B, ASP928A, ASP945A, ASP965A, CYS888A, CYS921A, CYS967A, GLN1115A, GLN63B, GLN770A, GLN771A, GLN789A, GLN891A, GLN913A, GLN925A, GLN933A, GLN935A, GLN969A, GLN976A, GLN985A, GLU1023A, GLU1119A, GLU32B, GLU40B, GLU54B, GLU64B, GLU790A, GLU794A, GLU799A, GLU916A, GLU93B, GLU97B, GLU980A, GLU982A, GLY1024A, GLY62B, HIS1022A, HIS105B, HIS802A, ILE1021A, ILE23B, ILE46B, ILE786A, ILE792A, ILE929A, ILE930A, ILE947A, ILE970A, LEU22B, LEU55B, LEU57B, LEU69B, LEU72B, LEU795A, LEU895A, LEU924A, LEU926A, LEU937A, LEU942A, LEU943A, LEU944A, LEU971A, LYS1052A, LYS1095A, LYS18B, LYS27B, LYS6B, LYS787A, LYS7B, LYS899A, LYS927A, LYS939A, LYS979A, LYS984A, LYS98B, MET1020A, MET934A, PHE106B, PHE39B, PHE887A, PHE893A, PHE973A, PRO101B, PRO1025A, PRO31B, PRO36B, PRO71B, PRO75B, PRO766A, PRO767A, PRO892A, PRO931A, PRO941A, PRO96B, SER1118A, SER73B, SER889A, THR100B, THR1116A, THR19B, THR37B, THR60B, THR77B, THR798A, THR805A, THR932A, THR938A, TRP58B, TRP769A, TYR1039A, TYR34B, TYR42B, TYR66B, TYR74B, TYR797A, TYR940A, TYR950A, TYR990A, VAL1117A, VAL1122A, VAL33B, VAL35B, VAL38B, VAL43B, VAL53B, VAL791A, VAL974A, VAL978A, VAL9B
• A-E: ALA801A, ALA915A, ARG804A, ARG816A, ARG819A, ARG922A, ARG957E, ASN918A, ASP810A, ASP862E, GLN811A, GLN815A, GLN863E, GLU776E, GLU857E, GLU952E, GLU956E, GLU958E, GLY780E, HIS802A, LEU772A, LEU779E, LEU806A, LEU809A, LEU839A, LEU920A, LYS782E, LYS807A, LYS850A, LYS854A, LYS959E, LYS961E, PHE813A, PRO766A, PRO767A, PRO919A, PRO954E, THR805A, THR951E, THR955E, TRP953E, VAL803A, VAL808A, VAL812A
• A-G: ALA801G, ALA915G, ARG788A, ARG800G, ARG804G, ARG816G, ARG819G, ARG853G, ARG855A, ARG922G, ARG923G, ARG957A, ASN768G, ASN793G, ASN856A, ASN918G, ASP810G, ASP862A, CYS784A, CYS921G, GLN771G, GLN811G, GLN815G, GLN863A, GLU776A, GLU847G, GLU857A, GLU857G, GLU952A, GLU956A, GLU958A, GLY780A, LEU772G, LEU781A, LEU806G, LEU809G, LEU839G, LEU920G, LYS782A, LYS807G, LYS850G, LYS854A, LYS854G, LYS959A, PHE813G, PRO766G, PRO767G, PRO783A, PRO919G, PRO954A, SER774A, SER859G, THR805G, THR858A, THR951A, THR955A, TRP953A, VAL777A, VAL803G, VAL808G, VAL812G
• A-H: GLY780A, LYS27H
• C-D: ALA3D, ALA44D, ALA56D, ALA61D, ALA801C, ALA884C, ALA885C, ALA964C, ALA977C, ALA981C, ARG150D, ARG5D, ARG68D, ARG70D, ARG788C, ARG804C, ARG922C, ARG923C, ARG936C, ARG968C, ARG986C, ASN1094C, ASN41D, ASN768C, ASN793C, ASN890C, ASN946C, ASN972C, ASN975C, ASN983C, ASP45D, ASP59D, ASP65D, ASP67D, ASP76D, ASP78D, ASP928C, ASP945C, ASP965C, CYS888C, CYS921C, CYS967C, GLN1115C, GLN52D, GLN63D, GLN770C, GLN771C, GLN789C, GLN891C, GLN925C, GLN933C, GLN935C, GLN969C, GLN976C, GLU1023C, GLU102D, GLU1119C, GLU32D, GLU40D, GLU54D, GLU64D, GLU790C, GLU794C, GLU799C, GLU916C, GLU97D, GLU980C, GLU982C, GLY1024C, GLY14D, GLY62D, HIS1022C, HIS105D, HIS802C, ILE1021C, ILE23D, ILE46D, ILE4D, ILE786C, ILE792C, ILE929C, ILE930C, ILE947C, ILE970C, LEU22D, LEU55D, LEU57D, LEU69D, LEU72D, LEU778C, LEU795C, LEU895C, LEU924C, LEU926C, LEU937C, LEU942C, LEU943C, LEU944C, LEU971C, LYS104D, LYS1052C, LYS1095C, LYS1120C, LYS18D, LYS27D, LYS787C, LYS7D, LYS899C, LYS927C, LYS939C, LYS979C, LYS984C, LYS98D, MET1020C, MET934C, PHE106D, PHE39D, PHE887C, PHE893C, PHE973C, PRO101D, PRO1025C, PRO31D, PRO36D, PRO71D, PRO75D, PRO766C, PRO767C, PRO892C, PRO931C, PRO941C, PRO96D, SER1118C, SER73D, SER889C, SER917C, THR100D, THR1116C, THR19D, THR37D, THR60D, THR77D, THR798C, THR805C, THR932C, THR938C, TRP58D, TRP769C, TRP99D, TYR1039C, TYR34D, TYR42D, TYR66D, TYR74D, TYR797C, TYR940C, TYR950C, TYR990C, VAL1117C, VAL1122C, VAL33D, VAL35D, VAL38D, VAL43D, VAL53D, VAL791C, VAL974C, VAL978C, VAL9D
• C-E: ALA801E, ARG800E, ARG804E, ARG816E, ARG819E, ARG853E, ARG855C, ARG855E, ARG922E, ARG957C, ASN768E, ASN856C, ASN856E, ASN918E, ASP810E, ASP862C, CYS921E, GLN771E, GLN811E, GLN815E, GLN863C, GLU776C, GLU847E, GLU857C, GLU857E, GLU952C, GLU956C, GLU958C, GLY780C, ILE843E, LEU772E, LEU779C, LEU781C, LEU806E, LEU809E, LEU920E, LYS782C, LYS807E, LYS850E, LYS854E, LYS959C, PHE813E, PRO766E, PRO767E, PRO919E, PRO954C, SER774C, THR805E, THR858C, THR858E, THR951C, THR955C, TRP953C, VAL773E, VAL777C, VAL803E, VAL808E, VAL812E, VAL860C
• C-G: ALA915C, ARG775G, ARG800C, ARG804C, ARG816C, ARG819C, ARG922C, ARG957G, ASN768C, ASN918C, ASP810C, CYS784G, CYS921C, GLN771C, GLN811C, GLN815C, GLN863G, GLU776G, GLU857G, GLU952G, GLU956G, GLU958G, GLY780G, LEU772C, LEU779G, LEU781G, LEU806C, LEU809C, LEU839C, LEU920C, LYS782G, LYS807C, LYS854C, LYS959G, LYS961G, PHE813C, PRO766C, PRO767C, PRO919C, PRO954G, SER774G, THR805C, THR951G, THR955G, TRP953G, VAL773C, VAL777G, VAL803C, VAL808C, VAL812C
• E-F: ALA3F, ALA44F, ALA56F, ALA61F, ALA801E, ALA884E, ALA885E, ALA964E, ALA977E, ALA981E, ARG5F, ARG68F, ARG70F, ARG788E, ARG800E, ARG804E, ARG922E, ARG923E, ARG936E, ARG968E, ARG986E, ASN41F, ASN768E, ASN793E, ASN890E, ASN946E, ASN972E, ASN975E, ASN983E, ASP45F, ASP59F, ASP65F, ASP67F, ASP76F, ASP78F, ASP928E, ASP945E, ASP965E, CYS888E, CYS921E, CYS967E, GLN63F, GLN770E, GLN771E, GLN789E, GLN891E, GLN925E, GLN933E, GLN935E, GLN969E, GLN976E, GLU1023E, GLU40F, GLU54F, GLU64F, GLU790E, GLU794E, GLU799E, GLU916E, GLU97F, GLU980E, GLU982E, GLY14F, GLY62F, HIS1022E, HIS105F, HIS802E, ILE1021E, ILE23F, ILE46F, ILE4F, ILE786E, ILE792E, ILE929E, ILE930E, ILE947E, ILE970E, LEU22F, LEU55F, LEU57F, LEU69F, LEU72F, LEU795E, LEU895E, LEU8F, LEU924E, LEU926E, LEU937E, LEU942E, LEU943E, LEU944E, LEU971E, LYS18F, LYS27F, LYS6F, LYS787E, LYS7F, LYS899E, LYS927E, LYS939E, LYS949E, LYS979E, LYS984E, MET1020E, MET934E, PHE106F, PHE39F, PHE887E, PHE893E, PHE973E, PRO101F, PRO1025E, PRO31F, PRO36F, PRO71F, PRO75F, PRO766E, PRO767E, PRO892E, PRO931E, PRO941E, SER1118E, SER73F, SER889E, THR1116E, THR19F, THR37F, THR60F, THR77F, THR798E, THR805E, THR932E, THR938E, TRP58F, TRP769E, TYR1039E, TYR34F, TYR42F, TYR66F, TYR74F, TYR797E, TYR940E, TYR950E, VAL1117E, VAL33F, VAL35F, VAL38F, VAL43F, VAL53F, VAL791E, VAL974E, VAL978E, VAL9F
• G-H: ALA15H, ALA3H, ALA44H, ALA56H, ALA61H, ALA801G, ALA884G, ALA885G, ALA964G, ALA977G, ALA981G, ARG150H, ARG5H, ARG68H, ARG70H, ARG788G, ARG804G, ARG922G, ARG923G, ARG936G, ARG968G, ARG986G, ASN1094G, ASN41H, ASN768G, ASN793G, ASN946G, ASN94H, ASN972G, ASN975G, ASN983G, ASP45H, ASP59H, ASP65H, ASP67H, ASP76H, ASP78H, ASP928G, ASP945G, ASP965G, CYS888G, CYS921G, CYS967G, GLN1115G, GLN29H, GLN63H, GLN770G, GLN771G, GLN789G, GLN891G, GLN925G, GLN935G, GLN969G, GLN976G, GLU1023G, GLU1119G, GLU32H, GLU40H, GLU54H, GLU64H, GLU790G, GLU794G, GLU799G, GLU916G, GLU97H, GLU980G, GLU982G, GLY1024G, GLY14H, GLY62H, HIS1022G, HIS105H, HIS802G, ILE23H, ILE786G, ILE792G, ILE929G, ILE930G, ILE947G, ILE970G, LEU22H, LEU55H, LEU57H, LEU69H, LEU72H, LEU795G, LEU895G, LEU924G, LEU926G, LEU937G, LEU942G, LEU943G, LEU944G, LEU971G, LYS104H, LYS1052G, LYS1095G, LYS1120G, LYS18H, LYS27H, LYS6H, LYS787G, LYS7H, LYS899G, LYS927G, LYS939G, LYS979G, LYS98H, MET1020G, MET934G, PHE106H, PHE30H, PHE39H, PHE887G, PHE893G, PHE973G, PRO101H, PRO1025G, PRO31H, PRO36H, PRO71H, PRO75H, PRO766G, PRO767G, PRO892G, PRO931G, PRO941G, PRO96H, SER1118G, SER73H, SER889G, SER917G, THR100H, THR1116G, THR1121G, THR19H, THR37H, THR60H, THR77H, THR798G, THR805G, THR932G, THR938G, TRP58H, TRP769G, TYR1039G, TYR34H, TYR42H, TYR66H, TYR74H, TYR797G, TYR940G, TYR950G, TYR990G, VAL1117G, VAL1122G, VAL33H, VAL35H, VAL38H, VAL43H, VAL791G, VAL974G, VAL978G