3B1R

structure of burkholderia thailandensis nucleoside kinase (bthnk) in complex with amp-mg-amp

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 162
  • Norm. En. per Res.: -5.4291
• Hub Node: A(3)

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-C	-3.3433	2.0966	-73.6945	-74.9412	55	2	2	3512	0	17	13
A-D	-193.7882	-38.4627	-626.221	-858.4718	160	45	18	23931	2	41	32
A-E	-3.4157	6.9093	-67.7917	-64.2982	42	0	2	2964	0	17	14
B-E	-191.0206	-46.459	-642.038	-879.5177	162	45	19	24698	2	43	32
C-F	-181.9647	-34.9408	-619.221	-836.1265	163	37	17	23724	2	40	33

Interface residues

• A-C: ALA130C, ALA133C, ALA157C, ALA159C, ALA186C, ALA293A, ALA84A, ARG181C, ARG213C, ARG43A, ARG44A, ARG81A, ASN58A, ASP135C, ASP80A, ASP83A, GLN158C, GLN215C, GLN290A, GLN76A, GLU132C, GLU154C, GLU155C, GLU184C, GLU45A, GLY131C, GLY160C, GLY86A, ILE136C, LEU156C, LEU185C, LEU59A, LEU79A, LEU85A, LEU87A, LYS134C, LYS137C, MET42A, MET82A, PHE163C, PHE46A, PRO162C, PRO40A, PRO77A, THR153C, THR187C, THR291A, THR41A, TYR11A, TYR292A, TYR55A, TYR78A, TYR91C, VAL161C, VAL214C
• A-D: ALA103A, ALA103D, ALA116A, ALA116D, ALA196A, ALA196D, ARG20A, ARG20D, ARG221A, ARG221D, ARG22A, ARG22D, ARG256D, ARG43A, ARG43D, ARG44A, ASN111A, ASN111D, ASN112A, ASN112D, ASN13A, ASN13D, ASN192A, ASN192D, ASN34A, ASN34D, ASP108A, ASP108D, ASP110A, ASP110D, ASP193A, ASP193D, ASP201A, ASP201D, ASP28A, ASP28D, CYS251A, CYS251D, GLN102A, GLN102D, GLN113A, GLN113D, GLN169A, GLN169D, GLN29A, GLN29D, GLU195A, GLU195D, GLU207A, GLU207D, GLU223A, GLU223D, GLU23A, GLU23D, GLY120A, GLY120D, GLY145A, GLY168A, GLY168D, GLY170A, GLY170D, GLY222A, GLY222D, GLY225A, GLY225D, GLY252A, GLY252D, HIS118A, HIS118D, HIS224A, HIS224D, HIS24A, HIS24D, HIS31A, HIS31D, ILE105A, ILE105D, ILE114A, ILE114D, ILE14A, ILE14D, ILE219A, ILE219D, ILE25A, ILE25D, ILE284D, ILE33A, ILE33D, LEU109A, LEU109D, LEU171A, LEU171D, LEU173A, LEU173D, LEU198A, LEU198D, LEU26A, LEU26D, LEU32A, LEU32D, LEU35A, LEU35D, LEU38A, LEU38D, LYS197A, LYS197D, MET104A, MET104D, MET122A, MET122D, MET123A, MET123D, MET15A, MET15D, MET42A, MET42D, PHE117A, PHE117D, PHE17A, PHE17D, PHE21A, PHE21D, PHE37A, PHE37D, PRO119A, PRO119D, PRO143A, PRO143D, PRO172A, PRO172D, PRO248A, PRO248D, PRO27A, PRO27D, PRO40A, PRO40D, SER36A, SER36D, THR106A, THR106D, THR107A, THR107D, THR115A, THR115D, THR16A, THR16D, THR220A, THR220D, THR41A, THR41D, TYR194A, TYR194D, TYR99A, TYR99D, VAL191A, VAL191D, VAL30A, VAL30D, VAL39A, VAL39D
• A-E: ALA157A, ALA159A, ALA186A, ALA293E, ALA75E, ALA84E, ARG181A, ARG43E, ARG44E, ARG81E, ASP135A, ASP80E, ASP83E, GLN158A, GLN215A, GLN76E, GLU154A, GLU155A, GLU184A, GLY160A, GLY86E, LEU156A, LEU185A, LEU79E, LEU85E, LYS134A, LYS137A, MET42E, MET82E, PHE163A, PHE46E, PRO162A, PRO40E, PRO77E, THR153A, THR187A, THR291E, THR41E, TYR11E, TYR55E, TYR78E, VAL161A
• B-E: ALA103B, ALA103E, ALA116B, ALA116E, ALA196B, ALA196E, ALA226B, ARG20B, ARG20E, ARG221B, ARG221E, ARG22B, ARG22E, ARG43E, ARG44B, ASN111B, ASN111E, ASN112B, ASN112E, ASN13B, ASN13E, ASN192B, ASN192E, ASN34B, ASN34E, ASP108B, ASP108E, ASP110B, ASP110E, ASP144B, ASP193B, ASP193E, ASP201B, ASP201E, ASP28B, ASP28E, CYS200B, CYS200E, CYS251B, CYS251E, GLN102B, GLN102E, GLN113B, GLN113E, GLN169B, GLN169E, GLN29B, GLN29E, GLU195B, GLU195E, GLU207E, GLU223B, GLU223E, GLU23B, GLU23E, GLY120B, GLY120E, GLY145B, GLY145E, GLY168B, GLY168E, GLY170B, GLY170E, GLY222B, GLY222E, GLY225B, GLY225E, GLY252B, GLY252E, HIS118B, HIS118E, HIS224B, HIS224E, HIS24B, HIS24E, HIS31B, HIS31E, ILE105B, ILE105E, ILE114B, ILE114E, ILE14B, ILE14E, ILE219B, ILE219E, ILE25B, ILE25E, ILE33B, ILE33E, LEU109B, LEU171B, LEU171E, LEU173B, LEU173E, LEU198B, LEU198E, LEU26B, LEU26E, LEU32B, LEU32E, LEU35B, LEU35E, LEU38B, LEU38E, LYS197B, LYS197E, MET104B, MET104E, MET122B, MET122E, MET123B, MET123E, MET15B, MET15E, MET42B, MET42E, PHE117B, PHE117E, PHE146B, PHE17B, PHE17E, PHE21B, PHE21E, PHE37B, PHE37E, PRO119B, PRO119E, PRO143B, PRO143E, PRO172B, PRO172E, PRO248B, PRO248E, PRO27B, PRO27E, PRO40B, PRO40E, SER36B, SER36E, THR106B, THR106E, THR107B, THR107E, THR115B, THR115E, THR16B, THR16E, THR220B, THR220E, THR41B, THR41E, TYR194B, TYR194E, TYR99B, TYR99E, VAL191B, VAL191E, VAL199E, VAL30B, VAL30E, VAL39B, VAL39E
• C-F: ALA103C, ALA103F, ALA116C, ALA116F, ALA196C, ALA196F, ALA226C, ARG20C, ARG20F, ARG221C, ARG221F, ARG22C, ARG22F, ARG43C, ARG43F, ASN111C, ASN111F, ASN112C, ASN112F, ASN13C, ASN13F, ASN192C, ASN192F, ASN34C, ASN34F, ASP108C, ASP108F, ASP110C, ASP110F, ASP144F, ASP193C, ASP193F, ASP201C, ASP201F, ASP28C, ASP28F, CYS251C, CYS251F, GLN102C, GLN102F, GLN113C, GLN113F, GLN169C, GLN169F, GLN29C, GLN29F, GLU195C, GLU195F, GLU207C, GLU207F, GLU223C, GLU223F, GLU23C, GLU23F, GLY120C, GLY120F, GLY145C, GLY145F, GLY168C, GLY168F, GLY170C, GLY170F, GLY222C, GLY222F, GLY225C, GLY225F, GLY252C, GLY252F, HIS118C, HIS118F, HIS224C, HIS224F, HIS24C, HIS24F, HIS31C, HIS31F, ILE105C, ILE105F, ILE114C, ILE114F, ILE14C, ILE14F, ILE219C, ILE219F, ILE25C, ILE25F, ILE284F, ILE33C, ILE33F, LEU109C, LEU109F, LEU171C, LEU171F, LEU173C, LEU173F, LEU198C, LEU198F, LEU26C, LEU26F, LEU32C, LEU32F, LEU35C, LEU35F, LEU38C, LEU38F, LYS197C, LYS197F, MET104C, MET104F, MET122C, MET122F, MET123C, MET123F, MET15C, MET15F, MET42C, MET42F, PHE117C, PHE117F, PHE146F, PHE17C, PHE17F, PHE21C, PHE21F, PHE37C, PHE37F, PRO119C, PRO119F, PRO143C, PRO143F, PRO172C, PRO172F, PRO248C, PRO248F, PRO27C, PRO27F, PRO40C, PRO40F, SER36C, SER36F, THR106C, THR106F, THR107C, THR107F, THR115C, THR115F, THR16C, THR16F, THR220C, THR220F, THR41C, THR41F, TYR194C, TYR194F, TYR99C, TYR99F, VAL191C, VAL191F, VAL199F, VAL30C, VAL30F, VAL39C, VAL39F