3B1Q

structure of burkholderia thailandensis nucleoside kinase (bthnk) in complex with inosine

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 141
  • Norm. En. per Res.: -3.7113
• Hub Node: B(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	0.0	-6.8976	-35.7795	-42.6771	21	0	0	1206	0	5	6
A-F	-155.4292	0.0	-260.175	-415.6042	124	18	13	11378	0	6	5
B-C	-11.7598	6.0374	-44.0109	-49.7333	32	1	0	1598	0	16	27
B-D	-127.2962	-2.8318	-307.977	-438.1049	124	19	14	12301	0	12	8
B-E	0.0	6.7099	-31.7267	-25.0168	22	0	0	1216	0	8	15
B-F	-24.421	-13.6706	-118.453	-156.5446	83	8	3	5150	2	34	30
C-E	-156.1155	-1.0389	-366.135	-523.2894	141	42	16	15287	0	20	22
D-F	-3.0191	-7.189	-42.2854	-52.4934	23	0	0	1407	0	5	6
E-F	-30.0408	-23.9399	-126.247	-180.2277	61	6	1	4906	5	28	27

Interface residues

• A-B: ALA72A, ALA72B, ALA75B, ARG89B, ARG93B, ASP80B, ASP83B, ASP97A, GLN76B, GLY71B, LEU70B, LEU79B, LEU95B, PRO77B, PRO96A, PRO96B, THR98A, TYR99A, VAL73A, VAL92B, VAL94B
• A-F: ALA101A, ALA101F, ALA103A, ALA103F, ALA116A, ALA116F, ARG20F, ARG22A, ARG256A, ARG43A, ARG43F, ARG44A, ARG44F, ASN111A, ASN111F, ASN112A, ASN112F, ASN13A, ASN13F, ASN192A, ASN192F, ASN34A, ASN34F, ASP108A, ASP108F, ASP110A, ASP110F, ASP144A, ASP144F, ASP193A, ASP253A, CYS251A, CYS251F, CYS49A, GLN102A, GLN102F, GLN113A, GLN113F, GLN169A, GLN169F, GLU18F, GLU195A, GLU195F, GLU223F, GLY120A, GLY120F, GLY145A, GLY145F, GLY168A, GLY168F, GLY170A, GLY170F, GLY222A, GLY222F, GLY250A, GLY250F, GLY252A, GLY252F, HIS118A, HIS118F, HIS24A, ILE105A, ILE105F, ILE114A, ILE114F, ILE14A, ILE33A, ILE33F, LEU173A, LEU173F, LEU198A, LEU32A, LEU35A, LEU35F, LEU38A, LEU38F, MET104A, MET104F, MET122A, MET122F, MET123A, MET123F, MET15A, MET15F, MET42A, MET42F, PHE117A, PHE117F, PHE146A, PHE146F, PHE17A, PHE17F, PHE21A, PHE37A, PHE37F, PRO119A, PRO119F, PRO143A, PRO172A, PRO172F, PRO248A, PRO248F, PRO40A, PRO40F, SER36A, SER36F, SER8A, THR106A, THR106F, THR107A, THR107F, THR115A, THR115F, THR16F, THR249A, THR249F, THR41A, THR41F, TYR194A, TYR194F, TYR99A, TYR99F, VAL39A, VAL39F
• B-C: ARG180C, ARG221B, ARG229B, ARG231B, ARG241B, ASP201C, ASP208B, ASP208C, ASP232B, CYS200C, GLN236B, GLU207B, GLU209C, GLU235B, GLY176C, GLY204C, GLY233B, HIS230B, ILE228B, ILE25C, ILE33C, LEU198C, LYS197C, LYS202C, SER206C, THR203C, THR227B, THR234B, THR305B, TRP205C, TYR194C, VAL199C
• B-D: ALA101D, ALA103B, ALA103D, ALA116B, ALA116D, ARG22B, ARG43B, ARG43D, ARG44B, ARG44D, ASN111B, ASN111D, ASN112B, ASN112D, ASN13B, ASN13D, ASN192B, ASN192D, ASN34B, ASN34D, ASP108D, ASP110D, ASP144B, ASP144D, ASP193D, ASP247D, CYS251B, CYS251D, GLN102B, GLN102D, GLN113B, GLN113D, GLN169B, GLN169D, GLU18D, GLU195B, GLU195D, GLU223D, GLY120B, GLY120D, GLY145B, GLY145D, GLY168B, GLY168D, GLY170B, GLY170D, GLY222D, GLY250B, GLY250D, GLY252B, GLY252D, HIS118B, HIS118D, HIS224D, HIS31B, ILE105B, ILE105D, ILE114B, ILE114D, ILE14B, ILE284D, ILE33B, LEU109D, LEU171B, LEU173B, LEU173D, LEU198B, LEU198D, LEU32B, LEU35B, LEU35D, LEU38B, LEU38D, LYS197D, MET104B, MET104D, MET122B, MET122D, MET123B, MET123D, MET15B, MET15D, MET42B, MET42D, PHE117B, PHE117D, PHE146B, PHE146D, PHE17B, PHE17D, PHE21B, PHE21D, PHE37B, PHE37D, PRO119B, PRO119D, PRO143B, PRO143D, PRO172B, PRO172D, PRO248B, PRO248D, PRO40B, PRO40D, SER36B, SER36D, THR106B, THR106D, THR107B, THR107D, THR115B, THR115D, THR16D, THR249B, THR249D, THR41B, THR41D, TYR194B, TYR194D, TYR99B, TYR99D, VAL245D, VAL39B, VAL39D
• B-E: ALA270B, ALA306B, ARG20E, ARG22E, ARG241B, ARG274B, ARG310B, ASN112E, ASP108E, ASP110E, GLU23E, GLU304B, GLY308B, HIS24E, LEU109E, LYS197E, PHE303B, PHE307B, PRO238B, THR271B, THR305B, TYR309B
• B-F: ALA242B, ALA242F, ALA281B, ALA281F, ALA285B, ALA285F, ALA293B, ALA293F, ALA297B, ALA297F, ALA301B, ALA301F, ALA84B, ALA84F, ARG241F, ARG244B, ARG244F, ARG296B, ARG296F, ARG302B, ARG302F, ARG43B, ARG43F, ARG44B, ARG44F, ARG81B, ARG81F, ASN58B, ASN58F, ASP300B, ASP300F, ASP80B, ASP80F, ASP83B, ASP83F, GLN287B, GLN287F, GLU243B, GLU243F, GLU298B, GLU298F, GLU45B, GLU45F, GLY61B, GLY61F, GLY86B, GLY86F, HIS286B, HIS286F, ILE246B, ILE246F, ILE284B, ILE284F, ILE299B, ILE299F, LEU282B, LEU282F, LEU59B, LEU59F, LEU60B, LEU60F, LEU85B, LEU85F, MET42B, MET42F, MET82B, MET82F, PHE46B, PHE46F, PRO294B, PRO294F, THR291B, THR291F, THR295B, THR295F, THR305B, THR305F, THR41B, THR41F, TYR292B, TYR292F, TYR55B, TYR55F
• C-E: ALA101C, ALA101E, ALA103C, ALA103E, ALA116C, ALA116E, ARG20C, ARG221C, ARG221E, ARG22C, ARG22E, ARG43C, ARG43E, ARG44C, ARG44E, ASN111C, ASN111E, ASN112C, ASN112E, ASN13C, ASN13E, ASN192C, ASN192E, ASN34C, ASN34E, ASP108C, ASP108E, ASP110C, ASP110E, ASP144C, ASP144E, ASP193C, ASP193E, CYS251C, GLN102C, GLN102E, GLN113C, GLN113E, GLN169C, GLN169E, GLU18C, GLU18E, GLU195C, GLU195E, GLU223C, GLU223E, GLU23C, GLY120C, GLY120E, GLY145C, GLY145E, GLY168C, GLY168E, GLY170C, GLY170E, GLY19C, GLY222C, GLY222E, GLY250C, GLY250E, GLY252C, HIS118C, HIS118E, HIS224C, HIS224E, HIS24C, HIS24E, HIS31E, ILE105C, ILE105E, ILE114C, ILE114E, ILE14C, ILE25C, ILE284C, ILE33C, ILE33E, LEU171C, LEU171E, LEU173C, LEU173E, LEU198C, LEU198E, LEU32E, LEU35C, LEU35E, LEU38C, LEU38E, LYS202C, LYS202E, MET104C, MET104E, MET122C, MET122E, MET123C, MET123E, MET15C, MET15E, MET42C, MET42E, PHE117C, PHE117E, PHE146C, PHE146E, PHE17C, PHE17E, PHE21C, PHE21E, PHE37C, PHE37E, PRO119C, PRO119E, PRO143C, PRO143E, PRO172C, PRO172E, PRO248C, PRO248E, PRO40C, PRO40E, SER36C, SER36E, THR106C, THR106E, THR107C, THR107E, THR115C, THR115E, THR16C, THR16E, THR249C, THR249E, THR41C, THR41E, TYR194C, TYR194E, TYR99C, TYR99E, VAL245C, VAL39C, VAL39E
• D-F: ALA72D, ALA72F, ALA75F, ARG89F, ARG93F, ASP80F, ASP83F, ASP97D, GLN76F, GLY71F, HIS118D, LEU70F, LEU79F, LEU95D, LEU95F, PRO77F, PRO96D, PRO96F, THR98D, TYR99D, VAL73D, VAL92F, VAL94F
• E-F: ALA196E, ALA211E, ALA226E, ALA239F, ALA270F, ALA272F, ALA301F, ALA306F, ARG221E, ARG229E, ARG231E, ARG274F, ARG302F, ARG310F, ASP193E, ASP201E, ASP208E, ASP232E, ASP268F, CYS200E, GLN236E, GLN236F, GLU195E, GLU207E, GLU235E, GLU235F, GLU304F, GLY225E, GLY233E, GLY266F, GLY308F, HIS224E, HIS230E, HIS230F, HIS265F, ILE210E, ILE219E, ILE228E, ILE237E, ILE237F, LEU198E, LEU217E, LYS197E, PHE267F, PHE303F, PHE307F, PRO238F, PRO311F, SER206E, THR220E, THR227E, THR234E, THR271F, THR305F, TRP205E, TRP269F, TYR194E, TYR309F, VAL191E, VAL199E, VAL240F