2AZ1

structure of a halophilic nucleoside diphosphate kinase from halobacterium salinarum

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 104
  • Norm. En. per Res.: -3.8979
• Hub Node: A(5)

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	-11.1565	-33.317	-217.37	-261.8435	83	11	0	8296	2	28	29
A-C	-32.453	-3.5089	-236.084	-272.0458	85	17	1	8444	2	29	26
A-D	-76.5391	5.7223	-334.569	-405.3857	104	15	5	12133	0	36	38
A-E	0.0	0.0	-0.0124	-0.0124	2	0	0	3	0	2	4
A-F	0.0	6.2666	-9.6239	-3.3574	14	0	1	523	0	2	3
B-C	-41.0562	-22.6613	-234.604	-298.3215	88	9	0	8481	2	28	27
B-D	0.0	5.897	-12.8737	-6.9767	16	0	1	564	0	2	6
B-E	-60.2265	10.6002	-308.567	-358.1932	105	25	5	11984	0	39	39
B-F	0.0	0.0	-0.0131	-0.0131	2	0	0	3	0	3	2
C-D	0.0	0.0	-0.0109	-0.0109	3	0	0	3	0	2	4
C-E	0.0	5.9606	-11.595	-5.6344	15	0	1	526	0	2	5
C-F	-56.6161	10.8559	-315.591	-361.3512	106	23	5	11914	0	35	38
D-E	-43.1866	-23.2392	-222.312	-288.7377	86	8	0	8130	2	28	27
D-F	-46.7227	-36.2631	-237.973	-320.9588	86	16	1	8594	2	28	29
E-F	-10.9817	-25.4001	-229.8	-266.1819	83	12	0	8301	1	28	29

Interface residues

• A-B: ALA100A, ALA101A, ALA101B, ALA149B, ALA151B, ALA158B, ALA82B, ALA84B, ALA97A, ARG106A, ARG147B, ARG19A, ARG28A, ARG28B, ARG43A, ARG86B, ARG89B, ASN111A, ASN116A, ASP108A, ASP108B, ASP112A, ASP156B, ASP15A, ASP24A, ASP83B, ASP96A, ASP99A, GLN18A, GLN87B, GLN90B, GLN98A, GLU155B, GLU30B, GLU6B, GLU80B, GLY103A, GLY103B, GLY107A, GLY110A, GLY114A, GLY16A, GLY33B, GLY64A, GLY72A, GLY81B, GLY93B, HIS115A, HIS4B, ILE105A, ILE105B, ILE69A, LEU113A, LEU117A, LEU157B, LEU21A, LEU29B, LEU34B, LEU65A, LEU91B, LYS13A, LYS32B, MET92B, PHE61A, PHE68A, PRO102A, PRO102B, PRO14A, PRO73A, SER150B, SER67A, SER71A, THR104A, THR104B, THR27B, THR31B, THR70A, TRP152B, TYR109A, TYR154B, VAL153B, VAL17A, VAL88B
• A-C: ALA100C, ALA101A, ALA101C, ALA149A, ALA151A, ALA158A, ALA82A, ALA84A, ALA97C, ARG106A, ARG106C, ARG147A, ARG19C, ARG28A, ARG28C, ARG43C, ARG86A, ARG89A, ASN111C, ASN116C, ASP108A, ASP108C, ASP112C, ASP148A, ASP156A, ASP15C, ASP24C, ASP83A, ASP96C, ASP99C, GLN18C, GLN87A, GLN90A, GLN98C, GLU155A, GLU30A, GLU6A, GLU80A, GLY103A, GLY103C, GLY107C, GLY110C, GLY114C, GLY16C, GLY33A, GLY64C, GLY72C, GLY81A, GLY93A, HIS115C, HIS4A, ILE105A, ILE105C, ILE69C, LEU113C, LEU117C, LEU157A, LEU21C, LEU29A, LEU34A, LEU65C, LEU91A, LYS13C, LYS32A, LYS35A, MET92A, PHE68C, PRO102A, PRO102C, PRO14C, PRO73C, SER150A, SER67C, SER71C, THR104A, THR104C, THR27A, THR31A, THR70C, TRP152A, TYR109C, TYR154A, VAL153A, VAL17C, VAL88A
• A-D: ALA149A, ALA149D, ALA76A, ALA76D, ARG147A, ARG147D, ARG19A, ARG19D, ARG28A, ARG28D, ARG43A, ARG43D, ASP140A, ASP140D, ASP144A, ASP144D, ASP146A, ASP146D, ASP148A, ASP148D, ASP15A, ASP15D, ASP24A, ASP24D, GLN18A, GLN18D, GLU141A, GLU141D, GLU30A, GLU30D, GLY16A, GLY16D, GLY20A, GLY20D, GLY23A, GLY23D, GLY33A, GLY33D, GLY38A, GLY38D, GLY39A, GLY39D, GLY72A, GLY72D, ILE22A, ILE22D, ILE25A, ILE25D, ILE44A, ILE44D, LEU142A, LEU142D, LEU21A, LEU21D, LEU29A, LEU29D, LEU34A, LEU34D, LYS35A, LYS35D, LYS40A, LYS40D, MET36A, MET36D, MET42A, MET42D, MET77A, MET77D, PHE137A, PHE137D, PHE41A, PHE41D, PHE75A, PHE75D, PRO14A, PRO14D, PRO73A, PRO73D, SER150A, SER150D, SER71A, SER71D, THR27A, THR27D, THR31A, THR31D, TRP145A, TRP145D, TRP79A, TRP79D, VAL12A, VAL12D, VAL143A, VAL143D, VAL17A, VAL17D, VAL26A, VAL26D, VAL37A, VAL37D, VAL74A, VAL74D, VAL78A, VAL78D
• A-E: ARG19A, ARG19E
• A-F: ALA149A, ALA149F, ALA151A, ALA151F, ARG147A, ARG147F, ASP146A, ASP146F, ASP148A, ASP148F, TRP145A, TRP145F, TRP152A, TRP152F
• B-C: ALA100B, ALA101B, ALA101C, ALA149C, ALA151C, ALA158C, ALA82C, ALA84C, ALA94C, ALA97B, ARG106B, ARG147C, ARG19B, ARG28B, ARG28C, ARG43B, ARG86C, ARG89C, ASN111B, ASN116B, ASP108B, ASP108C, ASP112B, ASP148C, ASP156C, ASP15B, ASP24B, ASP83C, ASP96B, ASP99B, GLN18B, GLN87C, GLN90C, GLN98B, GLU155C, GLU30C, GLU6C, GLU80C, GLY103B, GLY103C, GLY107B, GLY107C, GLY110B, GLY114B, GLY16B, GLY20B, GLY33C, GLY64B, GLY72B, GLY81C, GLY93C, HIS115B, HIS4C, ILE105B, ILE105C, ILE69B, LEU113B, LEU117B, LEU157C, LEU21B, LEU29C, LEU34C, LEU65B, LEU91C, LYS13B, LYS32C, LYS35C, MET92C, PHE61B, PHE68B, PRO102B, PRO102C, PRO14B, PRO73B, SER150C, SER67B, SER71B, THR104B, THR104C, THR27C, THR31C, THR70B, TRP152C, TYR109B, TYR154C, VAL153C, VAL17B, VAL88C
• B-D: ALA149B, ALA149D, ALA151B, ALA151D, ALA158B, ARG147B, ARG147D, ASP146B, ASP146D, ASP148B, ASP148D, LEU157B, TRP145B, TRP145D, TRP152B, TRP152D
• B-E: ALA149B, ALA149E, ALA151B, ALA76B, ALA76E, ARG147B, ARG147E, ARG19B, ARG19E, ARG28B, ARG28E, ARG43B, ARG43E, ARG7B, ASP140B, ASP140E, ASP144B, ASP144E, ASP146B, ASP146E, ASP148B, ASP148E, ASP24B, ASP24E, GLN18B, GLN18E, GLU141B, GLU141E, GLU30B, GLU30E, GLY16B, GLY16E, GLY20B, GLY20E, GLY23B, GLY23E, GLY33B, GLY33E, GLY38B, GLY38E, GLY39B, GLY39E, GLY72B, GLY72E, ILE22B, ILE22E, ILE25B, ILE25E, ILE44B, ILE44E, LEU142B, LEU142E, LEU21B, LEU21E, LEU29B, LEU29E, LEU34B, LEU34E, LYS35B, LYS35E, LYS40B, LYS40E, MET36B, MET36E, MET42B, MET42E, MET77B, MET77E, PHE137B, PHE137E, PHE41B, PHE41E, PHE75B, PHE75E, PRO14B, PRO14E, PRO73B, PRO73E, SER150B, SER150E, SER71B, SER71E, THR27B, THR27E, THR31B, THR31E, TRP145B, TRP145E, TRP79B, TRP79E, TYR109E, VAL12B, VAL12E, VAL143B, VAL143E, VAL17B, VAL17E, VAL26B, VAL26E, VAL37B, VAL37E, VAL74B, VAL74E, VAL78B, VAL78E
• B-F: ARG19B, ARG19F
• C-D: ARG19C, ARG19D, GLY20C
• C-E: ALA149C, ALA149E, ALA151C, ALA151E, ALA158C, ARG147C, ARG147E, ASP146C, ASP146E, ASP148C, ASP148E, TRP145C, TRP145E, TRP152C, TRP152E
• C-F: ALA149C, ALA149F, ALA151F, ALA76C, ALA76F, ARG147C, ARG147F, ARG19C, ARG19F, ARG28C, ARG28F, ARG43C, ARG43F, ARG7C, ASP140C, ASP140F, ASP144C, ASP144F, ASP146C, ASP146F, ASP148C, ASP148F, ASP15C, ASP15F, ASP24C, ASP24F, GLN18C, GLN18F, GLU141C, GLU141F, GLU30C, GLU30F, GLY16C, GLY16F, GLY20C, GLY20F, GLY23C, GLY23F, GLY33C, GLY38C, GLY38F, GLY39C, GLY39F, GLY72C, GLY72F, ILE22C, ILE22F, ILE25C, ILE25F, ILE44C, ILE44F, LEU142C, LEU142F, LEU21C, LEU21F, LEU29C, LEU29F, LEU34C, LEU34F, LYS35C, LYS35F, LYS40C, LYS40F, MET36C, MET36F, MET42C, MET42F, MET77C, MET77F, PHE137C, PHE137F, PHE41C, PHE41F, PHE75C, PHE75F, PRO14C, PRO14F, PRO73C, PRO73F, SER150C, SER150F, SER71C, SER71F, THR27C, THR27F, THR31C, THR31F, TRP145C, TRP145F, TRP79C, TRP79F, TYR109C, VAL12C, VAL12F, VAL143C, VAL143F, VAL17C, VAL17F, VAL26C, VAL26F, VAL37C, VAL37F, VAL74C, VAL74F, VAL78C, VAL78F
• D-E: ALA100D, ALA100E, ALA101D, ALA101E, ALA149D, ALA151D, ALA158D, ALA82D, ALA84D, ALA97E, ARG106E, ARG147D, ARG19E, ARG28D, ARG28E, ARG43E, ARG86D, ARG89D, ASN111E, ASN116E, ASP108D, ASP108E, ASP112E, ASP148D, ASP156D, ASP15E, ASP24E, ASP83D, ASP96E, ASP99E, GLN18E, GLN87D, GLN90D, GLN98E, GLU155D, GLU30D, GLU6D, GLU80D, GLY103D, GLY103E, GLY107D, GLY107E, GLY110E, GLY114E, GLY16E, GLY20E, GLY33D, GLY64E, GLY72E, GLY81D, GLY93D, HIS115E, ILE105D, ILE105E, ILE69E, LEU113E, LEU117E, LEU157D, LEU21E, LEU29D, LEU34D, LEU65E, LEU91D, LYS13E, LYS32D, MET92D, PHE61E, PHE68E, PRO102D, PRO102E, PRO14E, PRO73E, SER150D, SER67E, SER71E, THR104D, THR104E, THR27D, THR31D, THR70E, TRP152D, TYR109E, TYR154D, VAL153D, VAL17E, VAL88D
• D-F: ALA100D, ALA101D, ALA101F, ALA149F, ALA151F, ALA158F, ALA82F, ALA84F, ALA97D, ARG106D, ARG147F, ARG19D, ARG28D, ARG28F, ARG43D, ARG86F, ARG89F, ASN111D, ASN116D, ASP108D, ASP108F, ASP112D, ASP148F, ASP156F, ASP15D, ASP24D, ASP83F, ASP96D, ASP99D, GLN18D, GLN87F, GLN90F, GLN98D, GLU155F, GLU30F, GLU6F, GLU80F, GLY103D, GLY103F, GLY107D, GLY107F, GLY110D, GLY114D, GLY16D, GLY33F, GLY64D, GLY72D, GLY81F, GLY93F, HIS115D, HIS4F, ILE105D, ILE105F, ILE69D, LEU113D, LEU117D, LEU157F, LEU21D, LEU29F, LEU34F, LEU65D, LEU91F, LYS13D, LYS32F, LYS35F, MET92F, PHE61D, PHE68D, PRO102D, PRO102F, PRO14D, PRO73D, SER150F, SER67D, SER71D, THR104D, THR104F, THR27F, THR31F, THR70D, TRP152F, TYR109D, TYR154F, VAL153F, VAL17D, VAL88F
• E-F: ALA100F, ALA101E, ALA101F, ALA149E, ALA151E, ALA158E, ALA82E, ALA84E, ALA97F, ARG106F, ARG147E, ARG19F, ARG28E, ARG28F, ARG86E, ARG89E, ASN111F, ASN116F, ASP108E, ASP108F, ASP112F, ASP156E, ASP15F, ASP24F, ASP5E, ASP83E, ASP96F, ASP99F, GLN18F, GLN87E, GLN90E, GLN98F, GLU155E, GLU30E, GLU6E, GLU80E, GLY103E, GLY103F, GLY107E, GLY107F, GLY110F, GLY114F, GLY16F, GLY33E, GLY64F, GLY72F, GLY81E, GLY93E, HIS115F, ILE105E, ILE105F, ILE69F, LEU113F, LEU117F, LEU157E, LEU21F, LEU29E, LEU34E, LEU91E, LYS13F, LYS32E, LYS35E, MET92E, PHE68F, PRO102E, PRO102F, PRO14F, PRO73F, SER150E, SER67F, SER71F, THR104E, THR104F, THR27E, THR31E, THR70F, THR85E, TRP152E, TYR109F, TYR154E, VAL153E, VAL17F, VAL88E