1NUE

x-ray structure of nm23 human nucleoside diphosphate kinase b complexed with gdp at 2 angstroms resolution

• Total interactions analyzed: 15
• Total true interactions: 14
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 83
  • Norm. En. per Res.: -3.8193
• 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	-57.2932	-27.8737	-221.659	-306.8259	81	3	2	8387	0	29	22
A-C	-50.0023	-27.5985	-221.078	-298.6789	82	4	2	8416	0	27	22
A-D	-89.1082	-16.4089	-278.204	-383.7211	105	11	13	11369	2	32	31
A-F	0.0	0.0	-21.0716	-21.0716	20	0	0	689	0	4	4
B-C	-55.3834	-28.5925	-233.025	-317.0009	83	7	2	8724	0	29	22
B-D	0.0	0.0	-22.7016	-22.7016	21	0	0	732	0	4	4
B-E	-91.8696	-15.9056	-281.427	-389.2022	106	11	13	11353	2	32	30
B-F	0.0	0.0	-0.0075	-0.0075	2	0	0	1	0	2	4
C-D	0.0	0.0	-0.0077	-0.0077	2	0	0	1	0	2	4
C-E	0.0	0.0	-22.5415	-22.5415	21	0	0	725	0	4	4
C-F	-86.559	-14.0871	-277.739	-378.385	107	12	13	11377	2	30	30
D-E	-47.2189	-27.7242	-214.41	-289.353	81	4	2	8249	0	27	22
D-F	-43.8352	-28.3232	-227.597	-299.7553	81	6	2	8471	0	27	22
E-F	-51.2067	-27.4058	-213.135	-291.7476	81	5	2	8276	0	28	21

Interface residues

• A-B: ALA146B, ALA97A, ARG105A, ARG114A, ARG18A, ARG27A, ARG27B, ARG34B, ARG42A, ARG88B, ASN115A, ASN69A, ASN82B, ASN95A, ASP107A, ASP107B, ASP148B, ASP14A, ASP98A, CYS109A, CYS145B, GLN111A, GLN17A, GLN30B, GLU152B, GLU23A, GLU29B, GLU79B, GLU93B, GLY102A, GLY102B, GLY106A, GLY113A, GLY15A, GLY32B, GLY63A, GLY71A, GLY80B, GLY87B, GLY92B, HIS147B, ILE104A, ILE104B, ILE110A, ILE116A, LEU20A, LEU4B, LEU81B, LEU91B, LYS100A, LYS100B, LYS12A, LYS26A, LYS26B, LYS31B, LYS66A, LYS85B, MET68A, MET90B, PHE108A, PHE28B, PHE33B, PHE60A, PRO101A, PRO101B, PRO13A, PRO72A, PRO96A, SER70A, SER99A, THR103A, THR103B, THR86B, TRP149B, TYR151B, TYR67A, VAL112A, VAL150B, VAL16A, VAL83B, VAL89B
• A-C: ALA146A, ALA97C, ARG105C, ARG114C, ARG18C, ARG27A, ARG27C, ARG34A, ARG42C, ARG88A, ASN115C, ASN69C, ASN82A, ASN95C, ASP107A, ASP107C, ASP148A, ASP14C, ASP98C, CYS109C, CYS145A, GLN111C, GLN17C, GLN30A, GLU152A, GLU23C, GLU29A, GLU79A, GLU93A, GLY102A, GLY102C, GLY106C, GLY113C, GLY15C, GLY32A, GLY63C, GLY71C, GLY80A, GLY87A, GLY92A, HIS147A, ILE104A, ILE104C, ILE110C, ILE116C, LEU20C, LEU4A, LEU81A, LEU91A, LYS100A, LYS100C, LYS12C, LYS26A, LYS26C, LYS31A, LYS66C, LYS85A, MET68C, MET90A, PHE108C, PHE28A, PHE33A, PHE60C, PRO101A, PRO101C, PRO13C, PRO72C, PRO96C, SER70C, SER99C, THR103A, THR103C, THR86A, TRP149A, TRP78A, TYR151A, TYR67C, VAL112C, VAL150A, VAL16C, VAL83A, VAL89A
• A-D: ALA146A, ALA146D, ALA37A, ALA37D, ALA43A, ALA43D, ALA75A, ALA75D, ARG18A, ARG18D, ARG27A, ARG27D, ARG34A, ARG34D, ARG42A, ARG42D, ASP141A, ASP141D, ASP14A, ASP14D, CYS145A, CYS145D, GLN17A, GLN17D, GLN30A, GLN30D, GLU137A, GLU137D, GLU138A, GLU138D, GLU23A, GLU23D, GLU29A, GLU29D, GLY15A, GLY15D, GLY19A, GLY19D, GLY22A, GLY22D, GLY71A, GLY71D, HIS147A, HIS147D, ILE11A, ILE11D, ILE24A, ILE24D, ILE25A, ILE25D, LEU139A, LEU139D, LEU20A, LEU20D, LEU35A, LEU35D, LEU41A, LEU41D, LYS135A, LYS135D, LYS143A, LYS143D, LYS26A, LYS26D, LYS39A, LYS39D, MET38A, MET38D, MET76A, MET76D, PHE108A, PHE108D, PHE134A, PHE134D, PHE28A, PHE28D, PHE33D, PHE40A, PHE40D, PRO13A, PRO13D, PRO72A, PRO72D, SER144A, SER144D, SER70A, SER70D, TRP78A, TRP78D, TYR142A, TYR142D, VAL140A, VAL140D, VAL16A, VAL16D, VAL21A, VAL21D, VAL36A, VAL36D, VAL73A, VAL73D, VAL74A, VAL74D, VAL77A, VAL77D
• A-F: ALA146A, ALA146F, ASP148A, ASP148F, CYS145A, CYS145F, GLN30A, GLN30F, HIS147A, HIS147F, LYS143A, LYS143F, LYS26A, LYS26F, SER144A, SER144F, TRP149A, TRP149F, TYR142A, TYR142F
• B-C: ALA146C, ALA97B, ARG105B, ARG114B, ARG18B, ARG27B, ARG27C, ARG34C, ARG42B, ARG88C, ASN115B, ASN69B, ASN82C, ASN95B, ASP107B, ASP107C, ASP148C, ASP14B, ASP98B, CYS109B, CYS145C, GLN111B, GLN17B, GLN30C, GLU152C, GLU23B, GLU29C, GLU79C, GLU93C, GLY102B, GLY102C, GLY106B, GLY113B, GLY15B, GLY32C, GLY63B, GLY71B, GLY80C, GLY87C, GLY92C, HIS147C, ILE104B, ILE104C, ILE110B, ILE116B, LEU20B, LEU4C, LEU64B, LEU81C, LEU91C, LYS100B, LYS100C, LYS12B, LYS26B, LYS26C, LYS31C, LYS66B, LYS85C, MET68B, MET90C, PHE108B, PHE28C, PHE33C, PHE60B, PRO101B, PRO101C, PRO13B, PRO72B, PRO96B, SER70B, SER99B, THR103B, THR103C, THR86C, TRP149C, TRP78C, TYR151C, TYR67B, VAL112B, VAL150C, VAL16B, VAL83C, VAL89C
• B-D: ALA146B, ALA146D, ASP148B, ASP148D, CYS145B, CYS145D, GLN30B, GLN30D, HIS147B, HIS147D, LYS143B, LYS143D, LYS26B, LYS26D, SER144B, SER144D, TRP149B, TRP149D, TYR142B, TYR142D, VAL150B
• B-E: ALA146B, ALA146E, ALA37B, ALA37E, ALA43B, ALA43E, ALA75B, ALA75E, ARG18B, ARG18E, ARG27B, ARG27E, ARG34B, ARG34E, ARG42B, ARG42E, ASP141B, ASP141E, ASP14B, ASP14E, CYS145B, CYS145E, GLN17B, GLN17E, GLN30B, GLN30E, GLU137B, GLU137E, GLU138B, GLU138E, GLU23B, GLU23E, GLU29B, GLU29E, GLY15B, GLY15E, GLY19B, GLY19E, GLY22B, GLY22E, GLY71B, GLY71E, HIS147B, HIS147E, ILE11B, ILE11E, ILE24B, ILE24E, ILE25B, ILE25E, LEU139B, LEU139E, LEU20B, LEU20E, LEU35B, LEU35E, LEU41B, LEU41E, LYS135B, LYS135E, LYS143B, LYS143E, LYS26B, LYS26E, LYS39B, LYS39E, MET38B, MET38E, MET76B, MET76E, PHE108B, PHE108E, PHE134B, PHE134E, PHE28B, PHE28E, PHE33B, PHE33E, PHE40B, PHE40E, PRO13B, PRO13E, PRO72B, PRO72E, SER144B, SER144E, SER70B, SER70E, TRP78B, TRP78E, TYR142B, TYR142E, VAL140B, VAL140E, VAL16B, VAL16E, VAL21B, VAL21E, VAL36B, VAL36E, VAL73B, VAL73E, VAL74B, VAL74E, VAL77B, VAL77E
• B-F: ARG18B, ARG18F
• C-D: ARG18C, ARG18D
• C-E: ALA146C, ALA146E, ASP148C, ASP148E, CYS145C, CYS145E, GLN30C, GLN30E, HIS147C, HIS147E, LYS143C, LYS143E, LYS26C, LYS26E, SER144C, SER144E, TRP149C, TRP149E, TYR142C, TYR142E, VAL150C
• C-F: ALA146C, ALA146F, ALA37C, ALA37F, ALA43C, ALA43F, ALA75C, ALA75F, ARG18C, ARG18F, ARG27C, ARG27F, ARG34C, ARG34F, ARG42C, ARG42F, ASP141C, ASP141F, ASP14C, ASP14F, CYS145C, CYS145F, GLN17C, GLN17F, GLN30C, GLN30F, GLU137C, GLU137F, GLU138C, GLU138F, GLU23C, GLU23F, GLU29C, GLU29F, GLY15C, GLY15F, GLY19C, GLY19F, GLY22C, GLY22F, GLY32C, GLY71C, GLY71F, HIS147C, HIS147F, ILE11C, ILE11F, ILE24C, ILE24F, ILE25C, ILE25F, LEU139C, LEU139F, LEU20C, LEU20F, LEU35C, LEU35F, LEU41C, LEU41F, LYS135C, LYS135F, LYS143C, LYS143F, LYS26C, LYS26F, LYS39C, LYS39F, MET38C, MET38F, MET76C, MET76F, PHE108C, PHE108F, PHE134C, PHE134F, PHE28C, PHE28F, PHE33C, PHE33F, PHE40C, PHE40F, PRO13C, PRO13F, PRO72C, PRO72F, SER144C, SER144F, SER70C, SER70F, TRP78C, TRP78F, TYR142C, TYR142F, VAL140C, VAL140F, VAL16C, VAL16F, VAL21C, VAL21F, VAL36C, VAL36F, VAL73C, VAL73F, VAL74C, VAL74F, VAL77C, VAL77F
• D-E: ALA146D, ALA97E, ARG105E, ARG114E, ARG18E, ARG27D, ARG27E, ARG34D, ARG42E, ARG88D, ASN115E, ASN69E, ASN82D, ASN95E, ASP107D, ASP107E, ASP148D, ASP14E, ASP98E, CYS109E, CYS145D, GLN111E, GLN17E, GLN30D, GLU152D, GLU23E, GLU29D, GLU79D, GLU93D, GLY102D, GLY102E, GLY106E, GLY113E, GLY15E, GLY32D, GLY63E, GLY71E, GLY80D, GLY87D, GLY92D, HIS147D, ILE104D, ILE104E, ILE110E, ILE116E, LEU20E, LEU4D, LEU81D, LEU91D, LYS100D, LYS100E, LYS12E, LYS26D, LYS26E, LYS31D, LYS66E, LYS85D, MET68E, MET90D, PHE108E, PHE28D, PHE33D, PHE60E, PRO101D, PRO101E, PRO13E, PRO72E, PRO96E, SER70E, SER99E, THR103D, THR103E, THR86D, TRP149D, TYR151D, TYR67E, VAL112E, VAL150D, VAL16E, VAL83D, VAL89D
• D-F: ALA146F, ALA97D, ARG105D, ARG114D, ARG18D, ARG27D, ARG27F, ARG34F, ARG42D, ARG88F, ASN115D, ASN69D, ASN82F, ASN95D, ASP107D, ASP107F, ASP148F, ASP14D, ASP98D, CYS109D, CYS145F, GLN111D, GLN17D, GLN30F, GLU152F, GLU23D, GLU29F, GLU79F, GLY102D, GLY102F, GLY106D, GLY113D, GLY15D, GLY32F, GLY63D, GLY71D, GLY80F, GLY87F, GLY92F, HIS147F, ILE104D, ILE104F, ILE110D, ILE116D, LEU20D, LEU4F, LEU64D, LEU81F, LEU91F, LYS100D, LYS100F, LYS12D, LYS26D, LYS26F, LYS31F, LYS66D, LYS85F, MET68D, MET90F, PHE108D, PHE28F, PHE33F, PHE60D, PRO101D, PRO101F, PRO13D, PRO72D, PRO96D, SER70D, SER99D, THR103D, THR103F, THR86F, TRP149F, TYR151F, TYR67D, VAL112D, VAL150F, VAL16D, VAL83F, VAL89F
• E-F: ALA146E, ALA97F, ARG105F, ARG114F, ARG18F, ARG27E, ARG27F, ARG34E, ARG42F, ARG88E, ASN115F, ASN69F, ASN82E, ASN95F, ASP107E, ASP107F, ASP148E, ASP14F, ASP98F, CYS109F, CYS145E, GLN111F, GLN17F, GLN30E, GLU152E, GLU23F, GLU29E, GLU79E, GLU93E, GLY102E, GLY102F, GLY106F, GLY113F, GLY15F, GLY32E, GLY63F, GLY71F, GLY80E, GLY87E, GLY92E, HIS147E, ILE104E, ILE104F, ILE110F, ILE116F, LEU20F, LEU4E, LEU81E, LEU91E, LYS100E, LYS100F, LYS12F, LYS26E, LYS26F, LYS31E, LYS66F, LYS85E, MET68F, MET90E, PHE108F, PHE28E, PHE33E, PHE60F, PRO101E, PRO101F, PRO13F, PRO72F, PRO96F, SER70F, SER99F, THR103E, THR103F, THR86E, TRP149E, TYR151E, TYR67F, VAL112F, VAL150E, VAL16F, VAL83E, VAL89E