1NSK

the crystal structure of a human nucleoside diphosphate kinase, nm23-h2

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: U-N
  • Int. Res.: 104
  • Norm. En. per Res.: -4.0271
• Hub Node: R(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
R-L	-78.486	-25.6513	-301.035	-405.1723	104	25	13	11858	2	33	30
R-T	-20.0623	-16.7338	-217.61	-254.4061	77	8	2	8297	0	24	22
R-U	-26.1655	-16.5964	-210.032	-252.7939	77	7	2	8150	0	24	22
R-N	0.0	0.0	-27.4751	-27.4751	22	2	1	849	0	4	4
L-T	0.0	0.0	-26.1213	-26.1213	21	0	1	785	0	4	4
L-N	-20.2129	-16.6922	-213.545	-250.45	77	8	2	8257	0	24	22
L-O	-24.6011	-16.687	-214.482	-255.7701	77	8	2	8313	0	24	21
T-U	-17.8287	-15.3983	-208.024	-241.251	76	9	2	8117	0	24	22
T-O	-85.412	-23.8409	-297.133	-406.386	104	21	13	11859	2	36	31
U-N	-89.0735	-26.8871	-302.858	-418.8186	104	24	13	11956	2	36	31
U-O	0.0	0.0	-23.2091	-23.2091	21	0	1	732	0	4	4
N-O	-25.2265	-15.5677	-209.572	-250.3661	77	8	2	8156	0	24	22

Interface residues

• R-L: ALA146L, ALA146R, ALA37L, ALA37R, ALA43L, ALA43R, ALA75L, ALA75R, ARG18L, ARG18R, ARG27L, ARG27R, ARG34L, ARG34R, ARG42L, ARG42R, ASP141L, ASP141R, ASP14L, ASP14R, CYS145L, CYS145R, GLN17L, GLN17R, GLN30L, GLN30R, GLU137L, GLU137R, GLU138L, GLU138R, GLU23L, GLU23R, GLU29L, GLU29R, GLY15L, GLY15R, GLY19L, GLY19R, GLY22L, GLY22R, GLY71L, GLY71R, HIS147L, HIS147R, ILE11L, ILE11R, ILE24L, ILE24R, ILE25L, ILE25R, LEU139L, LEU139R, LEU20L, LEU20R, LEU35L, LEU35R, LEU41L, LEU41R, LYS135L, LYS135R, LYS143L, LYS143R, LYS26L, LYS26R, LYS39L, LYS39R, MET38L, MET38R, MET76L, MET76R, PHE108L, PHE108R, PHE134L, PHE134R, PHE28L, PHE28R, PHE40L, PHE40R, PRO13L, PRO13R, PRO72L, PRO72R, SER144L, SER144R, SER70L, SER70R, TRP78L, TRP78R, TYR142L, TYR142R, VAL140L, VAL140R, VAL16L, VAL16R, VAL21L, VAL21R, VAL36L, VAL36R, VAL73L, VAL73R, VAL74L, VAL74R, VAL77L, VAL77R
• R-T: ALA146T, ALA2T, ALA97R, ARG105R, ARG114R, ARG18R, ARG27R, ARG27T, ARG34T, ARG42R, ARG88T, ASN115R, ASN69R, ASN82T, ASN95R, ASP107R, ASP107T, ASP148T, ASP14R, ASP98R, CYS109R, CYS145T, GLN111R, GLN17R, GLN30T, GLU23R, GLU29T, GLU79T, GLY102R, GLY102T, GLY106R, GLY113R, GLY15R, GLY32T, GLY71R, GLY80T, GLY87T, GLY92T, HIS147T, ILE104R, ILE104T, ILE110R, ILE116R, LEU20R, LEU4T, LEU81T, LEU91T, LYS100R, LYS100T, LYS12R, LYS26T, LYS31T, LYS85T, MET68R, MET90T, PHE108R, PHE28T, PHE33T, PRO101R, PRO101T, PRO13R, PRO72R, PRO96R, SER144T, SER70R, SER99R, THR103R, THR103T, THR86T, TRP149T, TYR151T, TYR67R, VAL112R, VAL150T, VAL16R, VAL83T, VAL89T
• R-U: ALA146R, ALA2R, ALA97U, ARG105U, ARG114U, ARG18U, ARG27R, ARG27U, ARG34R, ARG42U, ARG88R, ASN115U, ASN69U, ASN82R, ASN95U, ASP107R, ASP107U, ASP148R, ASP14U, ASP98U, CYS109U, CYS145R, GLN111U, GLN17U, GLN30R, GLU23U, GLU29R, GLU79R, GLY102R, GLY102U, GLY106U, GLY113U, GLY15U, GLY32R, GLY71U, GLY80R, GLY87R, GLY92R, HIS147R, ILE104R, ILE104U, ILE110U, ILE116U, LEU20U, LEU4R, LEU81R, LEU91R, LYS100R, LYS100U, LYS12U, LYS26R, LYS31R, LYS85R, MET68U, MET90R, PHE108U, PHE28R, PHE33R, PRO101R, PRO101U, PRO13U, PRO72U, PRO96U, SER70U, SER99U, THR103R, THR103U, THR86R, TRP149R, TRP78R, TYR151R, TYR67U, VAL112U, VAL150R, VAL16U, VAL83R, VAL89R
• R-N: ALA146N, ALA146R, ASP148N, ASP148R, CYS145N, CYS145R, GLN30N, GLN30R, HIS147N, HIS147R, LYS143N, LYS143R, LYS26N, LYS26R, SER144N, SER144R, TRP149N, TRP149R, TYR142N, TYR142R, VAL150N, VAL150R
• L-T: ALA146L, ALA146T, ASP148L, ASP148T, CYS145L, CYS145T, GLN30L, GLN30T, HIS147L, HIS147T, LYS143L, LYS143T, LYS26L, LYS26T, SER144L, SER144T, TRP149L, TRP149T, TYR142L, TYR142T, VAL150L
• L-N: ALA146N, ALA2N, ALA97L, ARG105L, ARG114L, ARG18L, ARG27L, ARG27N, ARG34N, ARG42L, ARG88N, ASN115L, ASN69L, ASN82N, ASN95L, ASP107L, ASP107N, ASP148N, ASP14L, ASP98L, CYS109L, CYS145N, GLN111L, GLN17L, GLN30N, GLU23L, GLU29N, GLU79N, GLY102L, GLY102N, GLY106L, GLY113L, GLY15L, GLY32N, GLY71L, GLY80N, GLY87N, GLY92N, HIS147N, ILE104L, ILE104N, ILE110L, ILE116L, LEU20L, LEU4N, LEU81N, LEU91N, LYS100L, LYS100N, LYS12L, LYS26N, LYS31N, LYS85N, MET68L, MET90N, PHE108L, PHE28N, PHE33N, PRO101L, PRO101N, PRO13L, PRO72L, PRO96L, SER144N, SER70L, SER99L, THR103L, THR103N, THR86N, TRP149N, TYR151N, TYR67L, VAL112L, VAL150N, VAL16L, VAL83N, VAL89N
• L-O: ALA146L, ALA2L, ALA97O, ARG105O, ARG114O, ARG18O, ARG27L, ARG27O, ARG34L, ARG42O, ARG88L, ASN115O, ASN69O, ASN82L, ASN95O, ASP107L, ASP107O, ASP148L, ASP14O, ASP98O, CYS109O, CYS145L, GLN111O, GLN17O, GLN30L, GLU23O, GLU29L, GLU79L, GLY102L, GLY102O, GLY106O, GLY113O, GLY15O, GLY32L, GLY71O, GLY80L, GLY87L, GLY92L, HIS147L, ILE104L, ILE104O, ILE110O, ILE116O, LEU20O, LEU4L, LEU81L, LEU91L, LYS100L, LYS100O, LYS12O, LYS26L, LYS31L, LYS85L, MET68O, MET90L, PHE108O, PHE28L, PHE33L, PRO101L, PRO101O, PRO13O, PRO72O, PRO96O, SER70O, SER99O, THR103L, THR103O, THR86L, TRP149L, TRP78L, TYR151L, TYR67O, VAL112O, VAL150L, VAL16O, VAL83L, VAL89L
• T-U: ALA146U, ALA2U, ALA97T, ARG105T, ARG114T, ARG18T, ARG27T, ARG27U, ARG34U, ARG42T, ARG88U, ASN115T, ASN69T, ASN82U, ASN95T, ASP107T, ASP107U, ASP148U, ASP14T, ASP98T, CYS109T, CYS145U, GLN111T, GLN17T, GLN30U, GLU23T, GLU29U, GLU79U, GLY102T, GLY102U, GLY106T, GLY113T, GLY15T, GLY32U, GLY71T, GLY80U, GLY87U, GLY92U, HIS147U, ILE104T, ILE104U, ILE110T, ILE116T, LEU20T, LEU4U, LEU81U, LEU91U, LYS100T, LYS100U, LYS12T, LYS26U, LYS31U, LYS85U, MET68T, MET90U, PHE108T, PHE28U, PHE33U, PRO101T, PRO101U, PRO13T, PRO72T, PRO96T, SER70T, SER99T, THR103T, THR103U, THR86U, TRP149U, TYR151U, TYR67T, VAL112T, VAL150U, VAL16T, VAL83U, VAL89U
• T-O: ALA146O, ALA146T, ALA37O, ALA37T, ALA43O, ALA43T, ALA75O, ALA75T, ARG18O, ARG18T, ARG27O, ARG27T, ARG34O, ARG34T, ARG42O, ARG42T, ASP141O, ASP141T, ASP14O, ASP14T, CYS145O, CYS145T, GLN17O, GLN17T, GLN30O, GLN30T, GLU137O, GLU137T, GLU138O, GLU138T, GLU23O, GLU23T, GLU29O, GLU29T, GLY15O, GLY15T, GLY19O, GLY19T, GLY22O, GLY22T, GLY71O, GLY71T, HIS147O, HIS147T, ILE11O, ILE11T, ILE24O, ILE24T, ILE25O, ILE25T, LEU139O, LEU139T, LEU20O, LEU20T, LEU35O, LEU35T, LEU41O, LEU41T, LYS135O, LYS135T, LYS143O, LYS143T, LYS26O, LYS26T, LYS39O, LYS39T, MET38O, MET38T, MET76O, MET76T, PHE108O, PHE108T, PHE134O, PHE134T, PHE28O, PHE28T, PHE40O, PHE40T, PRO13O, PRO13T, PRO72O, PRO72T, SER144O, SER144T, SER70O, SER70T, TRP78O, TRP78T, TYR142O, TYR142T, VAL140O, VAL140T, VAL16O, VAL16T, VAL21O, VAL21T, VAL36O, VAL36T, VAL73O, VAL73T, VAL74O, VAL74T, VAL77O, VAL77T
• U-N: ALA146N, ALA146U, ALA37N, ALA37U, ALA43N, ALA43U, ALA75N, ALA75U, ARG18N, ARG18U, ARG27N, ARG27U, ARG34N, ARG34U, ARG42N, ARG42U, ASP141N, ASP141U, ASP14N, ASP14U, CYS145N, CYS145U, GLN17N, GLN17U, GLN30N, GLN30U, GLU137N, GLU137U, GLU138N, GLU138U, GLU23N, GLU23U, GLU29N, GLU29U, GLY15N, GLY15U, GLY19N, GLY19U, GLY22N, GLY22U, GLY71N, GLY71U, HIS147N, HIS147U, ILE11N, ILE11U, ILE24N, ILE24U, ILE25N, ILE25U, LEU139N, LEU139U, LEU20N, LEU20U, LEU35N, LEU35U, LEU41N, LEU41U, LYS135N, LYS135U, LYS143N, LYS143U, LYS26N, LYS26U, LYS39N, LYS39U, MET38N, MET38U, MET76N, MET76U, PHE108N, PHE108U, PHE134N, PHE134U, PHE28N, PHE28U, PHE40N, PHE40U, PRO13N, PRO13U, PRO72N, PRO72U, SER144N, SER144U, SER70N, SER70U, TRP78N, TRP78U, TYR142N, TYR142U, VAL140N, VAL140U, VAL16N, VAL16U, VAL21N, VAL21U, VAL36N, VAL36U, VAL73N, VAL73U, VAL74N, VAL74U, VAL77N, VAL77U
• U-O: ALA146O, ALA146U, ASP148O, ASP148U, CYS145O, CYS145U, GLN30O, GLN30U, HIS147O, HIS147U, LYS143O, LYS143U, LYS26O, LYS26U, SER144O, SER144U, TRP149O, TRP149U, TYR142O, TYR142U, VAL150U
• N-O: ALA146O, ALA2O, ALA97N, ARG105N, ARG114N, ARG18N, ARG27N, ARG27O, ARG34O, ARG42N, ARG88O, ASN115N, ASN69N, ASN82O, ASN95N, ASP107N, ASP107O, ASP148O, ASP14N, ASP98N, CYS109N, CYS145O, GLN111N, GLN17N, GLN30O, GLU23N, GLU29O, GLU79O, GLY102N, GLY102O, GLY106N, GLY113N, GLY15N, GLY32O, GLY71N, GLY80O, GLY87O, GLY92O, HIS147O, ILE104N, ILE104O, ILE110N, ILE116N, LEU20N, LEU4O, LEU81O, LEU91O, LYS100N, LYS100O, LYS12N, LYS26O, LYS31O, LYS85O, MET68N, MET90O, PHE108N, PHE28O, PHE33O, PRO101N, PRO101O, PRO13N, PRO72N, PRO96N, SER70N, SER99N, THR103N, THR103O, THR86O, TRP149O, TRP78O, TYR151O, TYR67N, VAL112N, VAL150O, VAL16N, VAL83O, VAL89O