1S59

structure of nucleoside diphosphate kinase 2 with bound dgtp from arabidopsis

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 86
  • Norm. En. per Res.: -4.2609
• 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	-47.2781	-44.4889	-247.248	-339.0149	89	16	3	9858	2	27	28
A-C	-59.729	-41.7302	-256.064	-357.5232	85	22	3	9908	2	28	27
A-D	-91.8703	-1.7228	-286.815	-380.4081	108	20	8	10940	0	19	18
A-E	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	3
A-F	0.0	0.0	-24.3352	-24.3352	20	1	4	1147	0	2	1
B-C	-44.8531	-36.852	-241.848	-323.5531	85	14	3	9772	2	27	27
B-D	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	4
B-E	0.0	0.0	-23.3388	-23.3388	20	1	4	1077	0	2	1
B-F	-88.4697	-3.8219	-281.273	-373.5646	108	17	8	11235	0	21	18
C-D	0.0	0.0	-20.5001	-20.5001	18	0	3	1063	0	2	2
C-E	-86.5449	-3.7513	-280.155	-370.4512	105	11	8	11055	0	20	19
C-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	4
D-E	-73.1845	-39.4466	-253.81	-366.4411	86	13	3	9809	2	29	28
D-F	-67.9516	-37.6385	-248.858	-354.448	85	12	4	9595	2	27	28
E-F	-32.6281	-40.9839	-242.662	-316.274	82	20	4	9787	2	27	27

Interface residues

• A-B: ALA164A, ALA166A, ALA178B, ALA188B, ALA224A, ALA226A, ARG106A, ARG106B, ARG167A, ARG184B, ARG193B, ARG230A, ARG97B, ASN142B, ASN194B, ASP174B, ASP186A, ASP186B, ASP93B, GLN177B, GLN190B, GLN96B, GLU102B, GLU108A, GLU145B, GLU158A, GLU179A, GLU179B, GLU231A, GLU81A, GLU84A, GLY111A, GLY150B, GLY159A, GLY161A, GLY171A, GLY181A, GLY181B, GLY185A, GLY185B, GLY192B, GLY94B, GLY98B, ILE147B, ILE170A, ILE183A, ILE183B, ILE195B, ILE95B, LEU143B, LEU169A, LEU176B, LEU187B, LEU225A, LEU229A, LEU99B, LYS109A, LYS110A, LYS113A, LYS168A, LYS172B, LYS91B, MET80A, PHE107A, PHE112A, PHE139B, PRO151B, PRO175B, PRO180A, PRO180B, PRO92B, SER105A, SER149B, SER165A, SER223A, SER79A, THR148B, THR182A, THR182B, THR191B, THR227A, TRP228A, TYR146B, VAL152B, VAL160A, VAL162A, VAL163A, VAL189B, VAL83A
• A-C: ALA164C, ALA166C, ALA178A, ALA188A, ALA224C, ALA226C, ARG106A, ARG106C, ARG167C, ARG184A, ARG193A, ARG230C, ARG97A, ASN142A, ASN194A, ASP174A, ASP186A, ASP186C, ASP93A, GLN177A, GLN190A, GLN96A, GLU102A, GLU108C, GLU145A, GLU158C, GLU179A, GLU179C, GLU231C, GLU84C, GLY111C, GLY150A, GLY159C, GLY161C, GLY171C, GLY181A, GLY181C, GLY185A, GLY185C, GLY192A, GLY94A, GLY98A, ILE147A, ILE170C, ILE183A, ILE183C, ILE195A, ILE95A, LEU143A, LEU169C, LEU176A, LEU187A, LEU225C, LEU229C, LEU99A, LYS109C, LYS110C, LYS113C, LYS168C, LYS172A, LYS91A, PHE107C, PHE112C, PHE139A, PRO151A, PRO175A, PRO180A, PRO180C, PRO92A, SER105C, SER149A, SER165C, SER223C, THR148A, THR182A, THR182C, THR191A, THR227C, TRP228C, TYR146A, VAL152A, VAL160C, VAL162C, VAL163C, VAL189A
• A-D: ALA156A, ALA156D, ALA224A, ALA224D, ALA226A, ALA226D, ARG106A, ARG106D, ARG97A, ARG97D, ASP222A, ASP222D, ASP93A, ASP93D, CYS122A, CYS122D, CYS154A, CYS154D, CYS219A, CYS219D, GLN121A, GLN121D, GLN96A, GLN96D, GLU102A, GLU102D, GLU108A, GLU108D, GLU217A, GLU217D, GLY101A, GLY101D, GLY111A, GLY111D, GLY116A, GLY116D, GLY150A, GLY150D, GLY216A, GLY216D, GLY94A, GLY94D, GLY98A, GLY98D, ILE103A, ILE103D, ILE104A, ILE104D, ILE115A, ILE115D, ILE95A, ILE95D, LEU114A, LEU114D, LEU117A, LEU117D, LEU218A, LEU218D, LEU225A, LEU225D, LEU229A, LEU229D, LEU99A, LEU99D, LYS109A, LYS109D, LYS113A, LYS113D, LYS118A, LYS118D, LYS214A, LYS214D, LYS220A, LYS220D, MET119A, MET119D, MET155A, MET155D, PHE107A, PHE107D, PHE112A, PHE112D, PHE120A, PHE120D, PHE213A, PHE213D, PRO151A, PRO151D, PRO92A, PRO92D, SER105A, SER105D, SER149A, SER149D, SER223A, SER223D, TRP157A, TRP157D, TRP221A, TRP221D, VAL100A, VAL100D, VAL152A, VAL152D, VAL153A, VAL153D, VAL90A, VAL90D
• A-E: ARG97A, ARG97E
• A-F: ALA224A, ALA224F, ALA226A, ALA226F, ASP222A, ASP222F, LEU225A, LEU225F, LEU229A, LYS109A, LYS109F, SER105A, SER223A, SER223F, THR227A, THR227F, TRP221A, TRP221F, TRP228A, TRP228F
• B-C: ALA164B, ALA166B, ALA178C, ALA188C, ALA226B, ARG106B, ARG106C, ARG167B, ARG184C, ARG193C, ARG230B, ARG97C, ASN142C, ASN194C, ASP174C, ASP186B, ASP186C, ASP93C, GLN177C, GLN190C, GLN96C, GLU102C, GLU108B, GLU145C, GLU158B, GLU179B, GLU179C, GLU231B, GLU84B, GLY111B, GLY150C, GLY159B, GLY161B, GLY171B, GLY181B, GLY181C, GLY185B, GLY185C, GLY192C, GLY94C, GLY98C, ILE147C, ILE170B, ILE183B, ILE183C, ILE195C, ILE95C, LEU143C, LEU169B, LEU176C, LEU187C, LEU225B, LEU229B, LEU99C, LYS109B, LYS110B, LYS113B, LYS168B, LYS172B, LYS172C, LYS91C, PHE107B, PHE112B, PHE139C, PRO151C, PRO175C, PRO180B, PRO180C, PRO92C, SER105B, SER149C, SER165B, SER223B, THR148C, THR182B, THR182C, THR191C, THR227B, TRP228B, TYR146C, VAL152C, VAL160B, VAL162B, VAL163B, VAL189C
• B-D: ARG97B, ARG97D
• B-E: ALA224B, ALA224E, ALA226B, ALA226E, ASP222B, ASP222E, LEU225B, LEU225E, LEU229B, LEU229E, LYS109B, LYS109E, SER223B, SER223E, THR227B, THR227E, TRP221B, TRP221E, TRP228B, TRP228E
• B-F: ALA156B, ALA156F, ALA224B, ALA224F, ALA226B, ALA226F, ARG106B, ARG106F, ARG97B, ARG97F, ASP222B, ASP222F, ASP93B, ASP93F, CYS122B, CYS122F, CYS154B, CYS154F, CYS219B, CYS219F, GLN121B, GLN121F, GLN96B, GLN96F, GLU102B, GLU102F, GLU108B, GLU108F, GLU217B, GLU217F, GLY101B, GLY101F, GLY111B, GLY111F, GLY116B, GLY116F, GLY150B, GLY150F, GLY216B, GLY216F, GLY94B, GLY94F, GLY98B, GLY98F, ILE103B, ILE103F, ILE104B, ILE104F, ILE115B, ILE115F, ILE95B, ILE95F, LEU114B, LEU114F, LEU117B, LEU117F, LEU187B, LEU218B, LEU218F, LEU225B, LEU225F, LEU229F, LEU99B, LEU99F, LYS109B, LYS109F, LYS113B, LYS113F, LYS118B, LYS118F, LYS214B, LYS214F, LYS220B, LYS220F, MET119B, MET119F, MET155B, MET155F, PHE107B, PHE107F, PHE112B, PHE112F, PHE120B, PHE120F, PHE213B, PHE213F, PRO151B, PRO151F, PRO92B, PRO92F, SER105B, SER105F, SER149B, SER149F, SER223B, SER223F, TRP157B, TRP157F, TRP221B, TRP221F, VAL100B, VAL100F, VAL152B, VAL152F, VAL153B, VAL153F, VAL90B, VAL90F
• C-D: ALA224C, ALA224D, ALA226C, ALA226D, ASP222C, ASP222D, LEU225C, LEU225D, LYS109C, LYS109D, SER223C, SER223D, THR227C, THR227D, TRP221C, TRP221D, TRP228C, TRP228D
• C-E: ALA156C, ALA156E, ALA224C, ALA224E, ALA226C, ALA226E, ARG106C, ARG106E, ARG97C, ARG97E, ASP222C, ASP222E, CYS122C, CYS122E, CYS154C, CYS154E, CYS219C, CYS219E, GLN121C, GLN121E, GLN96C, GLN96E, GLU102C, GLU102E, GLU108C, GLU108E, GLU217C, GLU217E, GLY101C, GLY101E, GLY111C, GLY111E, GLY116C, GLY116E, GLY150C, GLY150E, GLY216C, GLY216E, GLY94C, GLY94E, GLY98C, GLY98E, ILE103C, ILE103E, ILE104C, ILE104E, ILE115C, ILE115E, ILE95C, ILE95E, LEU114C, LEU114E, LEU117C, LEU117E, LEU218C, LEU218E, LEU225C, LEU225E, LEU229C, LEU99C, LEU99E, LYS109C, LYS109E, LYS113C, LYS113E, LYS118C, LYS118E, LYS214C, LYS214E, LYS220C, LYS220E, MET119C, MET119E, MET155C, MET155E, PHE107C, PHE107E, PHE112C, PHE112E, PHE120C, PHE120E, PHE213C, PHE213E, PRO151C, PRO151E, PRO92C, PRO92E, SER105C, SER105E, SER149C, SER149E, SER223C, SER223E, TRP157C, TRP157E, TRP221C, TRP221E, VAL100C, VAL100E, VAL152C, VAL152E, VAL153C, VAL153E, VAL90C, VAL90E
• C-F: ARG97C, ARG97F
• D-E: ALA164D, ALA166D, ALA178E, ALA188E, ALA224D, ALA226D, ARG106D, ARG106E, ARG167D, ARG184E, ARG193E, ARG230D, ARG97E, ASN142E, ASN194E, ASP174E, ASP186D, ASP186E, ASP93E, GLN177E, GLN190E, GLN96E, GLU102E, GLU108D, GLU145E, GLU158D, GLU179D, GLU179E, GLU231D, GLU81D, GLU84D, GLY111D, GLY150E, GLY159D, GLY161D, GLY171D, GLY181D, GLY181E, GLY185E, GLY192E, GLY94E, GLY98E, ILE147E, ILE170D, ILE183D, ILE183E, ILE195E, ILE95E, LEU143E, LEU169D, LEU176E, LEU187E, LEU225D, LEU229D, LEU99E, LYS109D, LYS110D, LYS113D, LYS168D, LYS172E, LYS91E, MET80D, PHE107D, PHE112D, PHE139E, PRO151E, PRO175E, PRO180D, PRO180E, PRO92E, SER105D, SER149E, SER165D, SER223D, SER79D, THR148E, THR182D, THR182E, THR191E, THR227D, TRP228D, TYR146E, VAL160D, VAL162D, VAL163D, VAL189E
• D-F: ALA164F, ALA166F, ALA178D, ALA188D, ALA224F, ALA226F, ARG106D, ARG106F, ARG167F, ARG184D, ARG193D, ARG230F, ARG97D, ASN142D, ASN194D, ASP174D, ASP186D, ASP186F, ASP93D, GLN177D, GLN190D, GLN96D, GLU102D, GLU108F, GLU145D, GLU158F, GLU179D, GLU179F, GLU231F, GLU81F, GLU84F, GLY111F, GLY150D, GLY159F, GLY161F, GLY171F, GLY181D, GLY181F, GLY185D, GLY185F, GLY192D, GLY94D, GLY98D, ILE147D, ILE170F, ILE183D, ILE183F, ILE195D, ILE95D, LEU143D, LEU169F, LEU176D, LEU187D, LEU225F, LEU229F, LEU99D, LYS109F, LYS110F, LYS113F, LYS168F, LYS172D, LYS91D, PHE107F, PHE112F, PHE139D, PRO151D, PRO175D, PRO180D, PRO180F, PRO92D, SER105F, SER149D, SER165F, THR148D, THR182D, THR182F, THR191D, THR227F, TRP228F, TYR146D, VAL152D, VAL160F, VAL162F, VAL163F, VAL189D
• E-F: ALA164E, ALA166E, ALA178F, ALA188F, ALA224E, ALA226E, ARG106E, ARG106F, ARG167E, ARG184F, ARG193F, ARG230E, ARG97F, ASN142F, ASN194F, ASP174F, ASP186E, ASP186F, ASP93F, GLN177F, GLN190F, GLN96F, GLU102F, GLU108E, GLU158E, GLU179E, GLU179F, GLU231E, GLU84E, GLY111E, GLY150F, GLY159E, GLY161E, GLY171E, GLY181E, GLY181F, GLY185E, GLY185F, GLY192F, GLY94F, GLY98F, ILE147F, ILE170E, ILE183E, ILE183F, ILE195F, ILE95F, LEU143F, LEU169E, LEU176F, LEU187F, LEU225E, LEU229E, LEU99F, LYS109E, LYS110E, LYS113E, LYS168E, LYS172F, LYS91F, PHE107E, PHE112E, PHE139F, PRO151F, PRO175F, PRO180E, PRO180F, PRO92F, SER105E, SER149F, SER165E, SER223E, THR182E, THR182F, THR191F, THR227E, TRP228E, TYR146F, VAL160E, VAL162E, VAL163E, VAL189F