3LM8

crystal structure of thiamine pyrophosphokinase from bacillus subtilis, northeast structural genomics consortium target sr677

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 133
  • Norm. En. per Res.: -2.9141
• 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-B	0.0	0.0	-6.0036	-6.0036	11	0	0	297	0	8	4
A-C	-13.1427	-25.2995	-368.875	-407.3172	143	22	10	16300	0	38	40
A-D	0.0	3.0667	-0.0999	2.9668	10	0	0	36	0	12	9
B-D	-21.862	-33.6478	-332.062	-387.5717	133	28	9	15423	2	38	36

Interface residues

• A-B: ASN124A, ASN124B, GLN93A, GLU91A, GLU91B, LEU90B, LYS119B, LYS122B, THR123B, TYR118B, VAL121B
• A-C: ALA107A, ALA107C, ARG106A, ARG106C, ARG153A, ARG153C, ARG211A, ARG211C, ASN113A, ASN113C, ASN134A, ASN134C, ASN191A, ASN191C, ASP108A, ASP108C, ASP131A, ASP131C, ASP163A, ASP163C, ASP214A, ASP214C, ASP78A, ASP78C, ASP81A, ASP83A, ASP83C, CYS188A, CYS188C, GLN115A, GLN115C, GLN133A, GLN133C, GLN137A, GLN79A, GLN79C, GLU162A, GLU162C, GLU192A, GLU192C, GLU76A, GLY104A, GLY104C, GLY105A, GLY105C, GLY112A, GLY112C, GLY184A, GLY184C, HIS109A, HIS109C, HIS135A, HIS135C, ILE102A, ILE102C, ILE114A, ILE114C, ILE136A, ILE136C, ILE155A, ILE155C, ILE158A, ILE158C, ILE164C, ILE181C, ILE189A, ILE189C, ILE206A, ILE206C, ILE208A, ILE208C, ILE210A, ILE210C, LEU111A, LEU111C, LEU116A, LEU116C, LEU117A, LEU117C, LEU129A, LEU129C, LEU14A, LEU14C, LEU176A, LEU183A, LEU183C, LEU187A, LEU187C, LEU207C, LEU215A, LEU215C, LEU82A, LEU82C, LEU84A, LEU86C, LYS119A, LYS119C, LYS122A, LYS122C, LYS132A, LYS132C, LYS152A, LYS152C, LYS173C, LYS77A, LYS77C, PHE110A, PHE110C, PHE157A, PHE157C, PHE160A, PHE160C, PRO11A, PRO11C, PRO159A, PRO159C, PRO175C, SER156A, SER156C, SER161A, SER161C, SER185A, SER185C, SER190A, SER190C, SER212A, SER212C, THR103A, THR103C, THR182A, THR182C, THR186A, THR186C, THR213A, THR213C, THR80A, THR80C, TYR118A, TYR118C, TYR154A, TYR154C, TYR174A, TYR174C
• A-D: ASP163D, ASP87A, GLU166D, GLU76A, GLU91A, HIS165D, HIS180D, LEU183D, THR182D, TYR73A
• B-D: ALA107B, ALA107D, ARG106B, ARG106D, ARG153B, ARG153D, ARG211B, ARG211D, ASN113B, ASN113D, ASN134B, ASN134D, ASN191B, ASN191D, ASP108B, ASP108D, ASP131B, ASP131D, ASP163B, ASP163D, ASP214B, ASP214D, ASP78B, ASP78D, ASP81B, ASP83B, ASP83D, CYS188B, CYS188D, GLN115B, GLN115D, GLN133B, GLN133D, GLN137D, GLN79B, GLN79D, GLU162B, GLU162D, GLU192B, GLU192D, GLY104B, GLY104D, GLY105B, GLY105D, GLY112B, GLY112D, GLY184B, GLY184D, HIS109B, HIS109D, HIS135B, HIS135D, ILE102B, ILE114B, ILE114D, ILE136B, ILE136D, ILE155B, ILE155D, ILE158B, ILE158D, ILE189B, ILE189D, ILE206B, ILE206D, ILE208B, ILE208D, ILE210B, ILE210D, LEU111B, LEU111D, LEU116B, LEU116D, LEU117B, LEU117D, LEU129B, LEU129D, LEU14B, LEU14D, LEU176D, LEU183B, LEU183D, LEU187B, LEU187D, LEU215B, LEU215D, LEU82B, LEU84B, LEU86B, LEU86D, LYS119B, LYS119D, LYS122B, LYS122D, LYS152B, LYS152D, LYS173D, LYS77B, PHE110B, PHE110D, PHE157B, PHE157D, PHE160B, PHE160D, PRO159B, PRO159D, SER156B, SER156D, SER161B, SER161D, SER185B, SER185D, SER190B, SER190D, SER212B, SER212D, SER54B, THR103B, THR103D, THR182B, THR182D, THR186B, THR186D, THR213B, THR213D, THR80B, THR80D, TYR118B, TYR118D, TYR154B, TYR154D, TYR174B, TYR174D