1ZMX

crystal structure of d. melanogaster deoxyribonucleoside kinase n64d mutant in complex with thymidine

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 121
  • Norm. En. per Res.: -3.809
• Hub Node: B(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	-31.626	-42.6707	-386.59	-460.8867	121	8	4	15812	4	26	21
A-C	0.0	-13.3234	-44.667	-57.9904	33	1	0	2138	0	20	22
B-C	-5.7798	0.0	-7.9674	-13.7472	18	0	0	570	0	2	2
B-D	0.0	-6.6818	-1.4147	-8.0965	18	0	0	181	0	16	17
B-E	-3.0875	-20.3745	-20.2192	-43.6812	21	1	0	889	1	11	14
C-D	-18.0364	-26.6088	-377.382	-422.0272	122	14	7	15893	2	27	23
D-G	0.0	-15.0958	-13.7463	-28.8421	21	0	0	792	0	9	12
E-F	-21.8848	-36.0273	-392.075	-449.9871	119	9	7	15944	4	26	23
E-G	0.0	-19.9544	-33.4142	-53.3686	37	0	0	1633	1	22	20
E-H	0.0	0.0	-8.4743	-8.4743	8	0	0	204	0	0	0
F-G	0.0	0.0	-0.0529	-0.0529	6	0	0	34	0	0	1
F-H	-10.0222	12.9378	-48.4946	-45.579	40	8	0	2030	2	25	24
G-H	-28.8489	-40.988	-367.007	-436.8439	119	11	3	15294	4	26	20

Interface residues

• A-B: ALA15A, ALA15B, ALA77A, ALA77B, ALA94A, ALA94B, ASN130A, ASN130B, ASN59A, ASN59B, ASN61A, ASN61B, ASP64A, ASP64B, ASP72A, ASP72B, GLN126A, GLN126B, GLN81A, GLN81B, GLN90A, GLN90B, GLU125A, GLU125B, GLU133A, GLU133B, GLU134A, GLU134B, GLU141A, GLU141B, GLU16A, GLU16B, GLY122A, GLY122B, 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, SER123A, SER123B, SER142A, SER142B, SER82A, SER82B, SER91A, SER91B, THR12A, THR12B, THR131A, THR131B, THR18A, THR18B, THR85A, THR85B, THR87A, THR87B, THR93A, THR93B, TRP135A, TRP135B, TRP57B, TRP76A, TRP76B, TYR129A, TYR129B, TYR136A, TYR136B, TYR14A, TYR14B, TYR83A, TYR83B, VAL60A, VAL60B, VAL63A, VAL63B, VAL84A, VAL84B
• A-C: ARG111A, ARG195A, ARG196A, ASN130A, ASN38C, ASN45C, ASN59C, ASP189A, ASP46C, GLN126A, GLN194A, GLN198A, GLU133A, GLU140A, GLU141A, GLU41C, GLU55C, HIS193A, HIS39C, ILE192A, LEU49C, LYS137A, LYS13A, LYS42C, LYS44C, LYS98C, PHE40C, PRO197A, SER199A, THR34C, THR35C, TYR112A, TYR43C
• B-C: ARG58B, ASN59B, ASN59C, ASN61B, ASN61C, ASN97C, ASP64B, GLN90C, GLU55C, GLU67B, GLY62B, GLY62C, LYS56C, PRO95B, TYR83C, VAL60B, VAL60C, VAL63B
• B-D: ARG111D, ARG167B, ARG58B, ASN38B, ASN59B, ASP189D, GLN166B, GLN194D, GLU134D, GLU55B, HIS193D, HIS39B, LYS137D, LYS13D, LYS201D, LYS42B, LYS44B, THR35B
• B-E: ASN45B, ASN45E, ASP46B, ASP46E, HIS39B, HIS39E, ILE47B, ILE47E, LEU203E, LYS201B, LYS201E, LYS42B, LYS42E, LYS44B, LYS44E, LYS99B, PHE21B, PHE40E, TYR36E, TYR43B, TYR43E
• C-D: ALA15C, ALA15D, ALA77C, ALA77D, ALA94C, ALA94D, ASN130C, ASN130D, ASN59C, ASN61C, ASN61D, ASP64C, ASP64D, ASP72C, ASP72D, GLN126C, GLN126D, GLN81C, GLN81D, GLN90C, GLN90D, GLU125C, GLU125D, GLU133C, GLU133D, GLU134C, GLU134D, GLU140C, GLU140D, 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, SER123C, SER123D, 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, VAL145C, VAL145D, VAL60C, VAL60D, VAL63C, VAL63D, VAL84C, VAL84D
• D-G: ASN45D, ASN45G, ASP206G, ASP46D, ASP46G, HIS39G, ILE47D, ILE47G, LEU203G, LEU205G, LYS201D, LYS201G, LYS42D, LYS42G, LYS44D, LYS99D, PHE21D, PHE40G, TYR36G, TYR43D, TYR43G
• E-F: ALA15E, ALA15F, ALA77E, ALA77F, ALA94E, ALA94F, ASN130E, ASN130F, ASN59F, ASN61E, ASN61F, ASP64E, ASP64F, GLN126E, GLN126F, GLN81E, GLN81F, GLN90E, GLN90F, GLU125E, GLU125F, GLU133E, GLU133F, GLU134E, GLU134F, GLU141E, GLU141F, GLU16E, GLU16F, GLY122E, 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, SER123E, SER123F, SER142E, SER142F, SER82E, SER82F, SER91E, SER91F, THR12E, THR12F, THR131E, THR131F, THR18E, THR18F, THR85E, THR85F, THR87E, THR87F, THR93E, THR93F, TRP135E, TRP135F, TRP57F, TRP76E, TRP76F, TYR129E, TYR129F, TYR136E, TYR136F, TYR14E, TYR14F, TYR83E, TYR83F, VAL145F, VAL60E, VAL60F, VAL63E, VAL63F, VAL84E, VAL84F
• E-G: ARG119G, ARG120G, ARG195G, ARG196G, ARG58E, ASN130G, ASN38E, ASN45E, ASN59E, ASN61E, ASP189G, ASP64E, GLN126G, GLN194G, GLU104E, GLU116G, GLU133G, GLU134G, GLU41E, GLU52E, GLU55E, GLY62E, HIS193G, ILE192G, LEU37E, LEU49E, LYS137G, LYS201G, LYS44E, LYS98E, PRO53E, THR34E, THR51E, TYR129G, VAL54E, VAL60E, VAL63E
• E-H: ASN61E, ASN61H, GLY62E, GLY62H, VAL60E, VAL60H, VAL63E, VAL63H
• F-G: ASN130F, ASN130G, GLN126F, GLN126G, LYS137F, LYS137G
• F-H: ARG119F, ARG120F, ARG154F, ARG58H, ASN130F, ASN38H, ASN45H, ASN59H, ASN61H, ASP189F, ASP64H, GLN126F, GLN194F, GLU116F, GLU133F, GLU134F, GLU188F, GLU41H, GLU55H, GLY127F, GLY62H, HIS193F, ILE192F, ILE47H, LEU186F, LEU191F, LEU49H, LEU50H, LYS137F, LYS201F, LYS42H, LYS44H, LYS98H, THR34H, THR51H, TRP190F, TYR129F, TYR43H, VAL60H, VAL63H
• G-H: ALA15G, ALA15H, ALA77G, ALA77H, ALA94G, ALA94H, ASN130G, ASN130H, ASN59G, ASN61G, ASN61H, ASP64G, ASP64H, ASP72G, GLN126G, GLN126H, GLN81G, GLN81H, GLN90G, GLN90H, GLU125G, GLU125H, GLU133G, GLU133H, GLU134G, GLU134H, GLU141G, GLU141H, GLU16G, GLU16H, GLY122G, GLY122H, GLY127G, GLY127H, 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, PRO95H, SER123G, SER123H, 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