2VP6

structural studies of nucleoside analog and feedback inhibitor binding to drosophila melanogaster multisubstrate deoxyribonucleoside kinase

• Total interactions analyzed: 28
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 117
  • Norm. En. per Res.: -3.6699
• Hub Node: C(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-B	-27.6953	-39.7356	-361.946	-429.3769	117	7	5	14963	4	22	16
C-D	-29.623	-45.4084	-338.32	-413.3513	117	14	4	14472	4	22	16
C-E	0.0	0.0	-1.6374	-1.6374	17	0	0	216	0	7	11
E-F	-15.4001	-33.3631	-356.675	-405.4382	115	9	7	15059	4	22	17
G-H	-7.9073	-28.1019	-361.077	-397.0863	114	17	7	15347	3	26	17

Interface residues

• A-B: ALA15A, ALA15B, ALA77A, ALA77B, ALA94A, ALA94B, ASN130A, ASN130B, ASN59A, ASN59B, ASN61A, ASN61B, ASN64A, ASN64B, GLN126A, GLN126B, GLN81A, GLN81B, GLN90A, GLN90B, GLU125A, GLU125B, GLU133A, GLU133B, GLU134A, GLU134B, GLU141A, GLU141B, GLU16A, GLU16B, GLY127A, GLY127B, GLY62A, GLY62B, HIS144A, HIS144B, HIS92A, HIS92B, ILE107A, ILE107B, ILE139A, ILE139B, ILE143A, ILE143B, LEU124A, LEU124B, LEU132A, LEU132B, LEU65A, LEU65B, LEU68A, LEU68B, LEU86A, LEU86B, LEU89A, LEU89B, LYS137A, LYS137B, LYS13A, LYS13B, LYS56A, LYS56B, LYS74A, LYS74B, LYS75A, LYS75B, MET128A, MET128B, MET78A, MET78B, MET88A, MET88B, PHE138A, PHE138B, PHE80A, PHE80B, PRO79A, PRO79B, PRO95A, PRO95B, SER123A, SER142A, SER142B, SER82A, SER82B, SER91A, SER91B, THR12A, THR12B, THR131A, THR131B, THR18A, THR18B, THR85A, THR85B, THR87A, THR87B, THR93A, THR93B, TRP135A, TRP135B, TRP76A, TRP76B, TYR129A, TYR129B, TYR136A, TYR136B, TYR14A, TYR14B, TYR83A, TYR83B, VAL60A, VAL60B, VAL63A, VAL63B, VAL84A, VAL84B
• C-D: ALA15C, ALA15D, ALA77C, ALA77D, ALA94C, ALA94D, ASN130C, ASN130D, ASN59C, ASN59D, ASN61C, ASN61D, ASN64C, ASN64D, GLN126C, GLN126D, GLN81C, GLN81D, GLN90C, GLN90D, GLU125C, GLU125D, GLU133C, GLU133D, GLU134C, GLU134D, GLU141C, GLU141D, GLU16C, GLU16D, GLY127C, GLY127D, GLY62C, GLY62D, HIS144C, HIS144D, HIS92C, HIS92D, ILE107C, ILE107D, ILE139C, ILE139D, ILE143C, ILE143D, LEU124C, LEU124D, LEU132C, LEU132D, LEU65C, LEU65D, LEU68C, LEU68D, LEU86C, LEU86D, LEU89C, LEU89D, LYS137C, LYS137D, LYS13C, LYS13D, LYS56C, LYS56D, LYS74C, LYS74D, LYS75C, LYS75D, MET128C, MET128D, MET78C, MET78D, MET88C, MET88D, PHE138C, PHE138D, PHE80C, PHE80D, PRO79C, PRO79D, PRO95C, PRO95D, SER123C, SER142C, SER142D, SER82C, SER82D, SER91C, SER91D, THR12C, THR12D, THR131C, THR131D, THR18C, THR18D, THR85C, THR85D, THR87C, THR87D, THR93C, THR93D, TRP135C, TRP135D, TRP76C, TRP76D, TYR129C, TYR129D, TYR136C, TYR136D, TYR14C, TYR14D, TYR83C, TYR83D, VAL60C, VAL60D, VAL63C, VAL63D, VAL84C, VAL84D
• C-E: ARG165C, ARG165E, ARG169E, CYS174C, CYS174E, GLN166C, GLN166E, GLU158C, GLU162C, GLU162E, LEU177C, LEU177E, PRO176C, PRO176E, SER173E, TYR161C, TYR161E
• E-F: ALA15E, ALA15F, ALA77E, ALA77F, ALA94E, ALA94F, ASN130E, ASN130F, ASN59E, ASN61E, ASN61F, ASN64E, ASN64F, GLN126E, GLN126F, GLN81E, GLN81F, GLN90E, GLN90F, GLU125E, GLU125F, GLU133E, GLU133F, GLU134E, GLU134F, GLU141E, GLU141F, GLU16E, GLU16F, GLY127E, GLY127F, GLY62E, GLY62F, HIS144E, HIS144F, HIS92E, HIS92F, ILE107E, ILE107F, ILE139E, ILE139F, ILE143E, ILE143F, LEU124E, LEU124F, LEU132E, LEU132F, LEU65E, LEU65F, LEU68E, LEU68F, LEU86E, LEU86F, LEU89E, LEU89F, LYS137E, LYS137F, LYS13E, LYS13F, LYS56E, LYS56F, LYS74E, LYS74F, LYS75E, LYS75F, MET128E, MET128F, MET78E, MET78F, MET88E, MET88F, PHE138E, PHE138F, PHE80E, PHE80F, PRO79E, PRO79F, PRO95E, PRO95F, SER142E, SER142F, SER82E, SER82F, SER91E, SER91F, THR12E, THR12F, THR131E, THR131F, THR18E, THR18F, THR85E, THR85F, THR87E, THR87F, THR93E, THR93F, TRP135E, TRP135F, TRP76E, TRP76F, TYR129E, TYR129F, TYR136E, TYR136F, TYR14E, TYR14F, TYR83E, TYR83F, VAL60E, VAL60F, VAL63E, VAL63F, VAL84E, VAL84F
• G-H: ALA15G, ALA15H, ALA77G, ALA77H, ALA94G, ALA94H, ASN130G, ASN130H, ASN59H, ASN61G, ASN61H, ASN64G, ASN64H, GLN126G, GLN126H, GLN81G, GLN81H, GLN90G, GLN90H, GLU125G, GLU125H, GLU133G, GLU133H, GLU134G, GLU134H, GLU141G, GLU141H, GLU16G, GLU16H, GLY127G, GLY127H, GLY17H, GLY62G, GLY62H, HIS144G, HIS144H, HIS92G, HIS92H, ILE107G, ILE107H, ILE139G, ILE139H, ILE143G, ILE143H, LEU124G, LEU124H, LEU132G, LEU132H, LEU65G, LEU65H, LEU68G, LEU68H, LEU86G, LEU86H, LEU89G, LEU89H, LYS137G, LYS137H, LYS13G, LYS13H, LYS56G, LYS56H, LYS74G, LYS74H, LYS75G, LYS75H, MET128G, MET128H, MET78G, MET78H, MET88G, MET88H, PHE138G, PHE138H, PHE80G, PHE80H, PRO79G, PRO79H, SER142G, SER142H, SER82G, SER82H, SER91G, SER91H, THR12G, THR12H, THR131G, THR131H, THR18G, THR18H, THR85G, THR85H, THR87G, THR87H, THR93G, THR93H, TRP135G, TRP135H, TRP76G, TRP76H, TYR129G, TYR129H, TYR136G, TYR136H, TYR14G, TYR14H, TYR83G, TYR83H, VAL60G, VAL60H, VAL63G, VAL63H, VAL84G, VAL84H