2C2B

crystallographic structure of arabidopsis thaliana threonine synthase complexed with pyridoxal phosphate and s-adenosylmethionine

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 322
  • Norm. En. per Res.: -3.1864
• Hub Node: C(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	-141.9982	17.5193	-875.391	-999.87	319	21	38	36493	0	42	48
B-D	-3.1908	-2.2954	-47.5416	-53.0278	59	1	0	2166	0	6	10
C-D	-134.0847	18.1866	-878.703	-994.6012	320	24	39	36710	0	43	47
C-E	0.0	-7.4023	-53.229	-60.6313	55	5	0	2653	1	18	10
C-F	0.0	0.0	-1.0924	-1.0924	5	0	0	132	0	1	1
E-F	-157.0848	18.3434	-887.291	-1026.0324	322	34	39	37072	0	43	47

Interface residues

• A-B: ALA126A, ALA126B, ALA136A, ALA136B, ALA197A, ALA197B, ALA201A, ALA201B, ALA204A, ALA204B, ALA206A, ALA206B, ALA216A, ALA216B, ALA222A, ALA222B, ALA229A, ALA229B, ALA232A, ALA232B, ALA253A, ALA253B, ALA392A, ALA392B, ALA394A, ALA394B, ALA433A, ALA433B, ALA449A, ALA449B, ALA466A, ALA466B, ALA470A, ALA470B, ARG138A, ARG138B, ARG178B, ARG249A, ARG249B, ARG95A, ARG95B, ASN130A, ASN130B, ASN132A, ASN132B, ASN230A, ASN230B, ASN448B, ASN459A, ASN459B, ASP121A, ASP121B, ASP164A, ASP164B, ASP238A, ASP238B, ASP240A, ASP240B, ASP283A, ASP283B, ASP395A, ASP395B, ASP444A, ASP444B, ASP463A, ASP463B, ASP467A, ASP467B, ASP473A, ASP473B, ASP90A, ASP90B, ASP93A, ASP93B, CYS154B, CYS203A, CYS203B, CYS244A, CYS244B, GLN142A, GLN142B, GLN223A, GLN223B, GLN226A, GLN226B, GLN280A, GLN280B, GLN281A, GLN281B, GLN393A, GLN393B, GLN440A, GLN440B, GLU128A, GLU128B, GLU137A, GLU137B, GLU250A, GLU250B, GLU254A, GLU254B, GLU277A, GLU277B, GLY104A, GLY104B, GLY129A, GLY129B, GLY155A, GLY155B, GLY160A, GLY160B, GLY186A, GLY186B, GLY188A, GLY207A, GLY207B, GLY231A, GLY231B, GLY243A, GLY243B, GLY398A, GLY398B, GLY435A, GLY435B, GLY469A, GLY469B, GLY97A, GLY97B, HIS153A, HIS153B, HIS158A, HIS158B, HIS434A, HIS434B, HIS446A, HIS446B, ILE123A, ILE156A, ILE156B, ILE208A, ILE208B, ILE211A, ILE211B, ILE219A, ILE219B, ILE228A, ILE228B, ILE237A, ILE237B, ILE248A, ILE248B, ILE251A, ILE251B, ILE257A, ILE257B, ILE401A, ILE401B, ILE443A, ILE443B, LEU133A, LEU133B, LEU214A, LEU214B, LEU224A, LEU224B, LEU235A, LEU235B, LEU247A, LEU247B, LEU255A, LEU255B, LEU279B, LEU436A, LEU436B, LEU475A, LEU475B, LEU479A, LEU479B, LYS152A, LYS152B, LYS179A, LYS179B, LYS246A, LYS246B, LYS437A, LYS437B, LYS442A, LYS442B, LYS465A, LYS465B, LYS476A, LYS476B, LYS98A, LYS98B, MET221A, MET221B, MET391A, MET391B, MET399A, MET399B, MET472A, MET472B, PHE127A, PHE127B, PHE134A, PHE134B, PHE139A, PHE139B, PHE213A, PHE213B, PHE233A, PHE233B, PHE282A, PHE282B, PHE400A, PHE400B, PHE438A, PHE438B, PHE457A, PHE457B, PHE468A, PHE468B, PHE92A, PHE92B, PRO209A, PRO209B, PRO215B, PRO227A, PRO227B, PRO256A, PRO256B, PRO460A, PRO460B, PRO461A, PRO461B, SER105A, SER105B, SER125A, SER125B, SER131A, SER131B, SER157A, SER157B, SER161A, SER161B, SER200A, SER200B, SER205A, SER205B, SER210A, SER210B, SER220A, SER220B, SER236A, SER236B, SER396A, SER396B, SER441A, SER441B, SER447A, SER447B, SER458A, SER458B, SER477A, SER477B, SER94A, SER94B, SER99A, SER99B, THR100A, THR100B, THR159A, THR159B, THR239A, THR239B, THR252A, THR252B, THR397A, THR397B, THR439A, THR439B, TRP101A, TRP101B, TRP135A, TRP135B, TRP150A, TRP150B, TRP284A, TRP284B, TYR202A, TYR202B, TYR445A, TYR445B, TYR478A, TYR478B, VAL124A, VAL124B, VAL151B, VAL184A, VAL185A, VAL185B, VAL187A, VAL187B, VAL212A, VAL212B, VAL225A, VAL225B, VAL234A, VAL234B, VAL462A, VAL462B, VAL464A, VAL464B, VAL471A, VAL471B, VAL474A, VAL474B, VAL96A, VAL96B
• B-D: ALA422D, ALA454D, ALA49B, ALA79B, ARG416D, ARG456D, ARG82B, ASN147D, ASN37B, ASN417D, ASN448D, ASN459D, ASP317B, ASP76B, ASP84B, CYS455D, GLN142D, GLN311B, GLN393D, GLN418D, GLU312B, GLU54B, GLU78B, GLY140D, GLY145D, GLY314B, GLY419D, GLY480D, GLY51B, GLY85B, HIS446D, ILE421D, LEU144D, LEU313B, LEU412D, LEU415D, LYS141D, LYS414D, LYS42B, LYS81B, MET146D, PHE143D, PHE39B, PHE413D, PHE457D, PRO38B, PRO423D, PRO460D, PRO50B, SER458D, SER477D, SER481D, SER52B, SER55B, THR424D, THR53B, TYR445D, VAL316B, VAL420D
• C-D: ALA126C, ALA126D, ALA136C, ALA136D, ALA197C, ALA197D, ALA201C, ALA201D, ALA204C, ALA204D, ALA206C, ALA206D, ALA216C, ALA216D, ALA222C, ALA222D, ALA229C, ALA229D, ALA232C, ALA232D, ALA253C, ALA253D, ALA392C, ALA392D, ALA394C, ALA394D, ALA433C, ALA433D, ALA449C, ALA466C, ALA466D, ALA470C, ALA470D, ARG138C, ARG138D, ARG178D, ARG249C, ARG249D, ARG95C, ARG95D, ASN130C, ASN130D, ASN132C, ASN132D, ASN230C, ASN230D, ASN448C, ASN448D, ASN459C, ASN459D, ASP121C, ASP121D, ASP164C, ASP164D, ASP238C, ASP238D, ASP240C, ASP240D, ASP283C, ASP283D, ASP395C, ASP395D, ASP444C, ASP444D, ASP463C, ASP463D, ASP467C, ASP467D, ASP473C, ASP473D, ASP90C, ASP90D, ASP93C, ASP93D, CYS154C, CYS203C, CYS203D, CYS244C, CYS244D, GLN142C, GLN142D, GLN223C, GLN223D, GLN226C, GLN226D, GLN280C, GLN280D, GLN281C, GLN281D, GLN285D, GLN393C, GLN393D, GLN440C, GLN440D, GLU128C, GLU128D, GLU137C, GLU137D, GLU250C, GLU250D, GLU254C, GLU254D, GLU277C, GLU277D, GLY104C, GLY104D, GLY129C, GLY129D, GLY155C, GLY155D, GLY160C, GLY160D, GLY186C, GLY186D, GLY188C, GLY207C, GLY207D, GLY231C, GLY231D, GLY243C, GLY243D, GLY398C, GLY398D, GLY435C, GLY435D, GLY469C, GLY469D, GLY97C, GLY97D, HIS153C, HIS153D, HIS158C, HIS158D, HIS434C, HIS434D, HIS446C, HIS446D, ILE156C, ILE156D, ILE208C, ILE208D, ILE211C, ILE211D, ILE219C, ILE219D, ILE228C, ILE228D, ILE237C, ILE237D, ILE248C, ILE248D, ILE251C, ILE251D, ILE257C, ILE257D, ILE401C, ILE401D, ILE443C, ILE443D, LEU133C, LEU133D, LEU214C, LEU214D, LEU224C, LEU224D, LEU235C, LEU235D, LEU247C, LEU247D, LEU255C, LEU255D, LEU279D, LEU436C, LEU436D, LEU475C, LEU475D, LEU479C, LEU479D, LYS152C, LYS152D, LYS179C, LYS179D, LYS246C, LYS246D, LYS437C, LYS437D, LYS442C, LYS442D, LYS465C, LYS465D, LYS476C, LYS476D, LYS98C, LYS98D, MET221C, MET221D, MET391C, MET391D, MET399C, MET399D, MET472C, MET472D, PHE127C, PHE127D, PHE134C, PHE134D, PHE139C, PHE139D, PHE213C, PHE213D, PHE233C, PHE233D, PHE282C, PHE282D, PHE400C, PHE400D, PHE438C, PHE438D, PHE457C, PHE457D, PHE468C, PHE468D, PHE92C, PHE92D, PRO209C, PRO209D, PRO215D, PRO227C, PRO227D, PRO256C, PRO256D, PRO460C, PRO460D, PRO461C, PRO461D, SER105C, SER105D, SER125C, SER125D, SER131C, SER131D, SER157C, SER157D, SER161C, SER161D, SER200C, SER200D, SER205C, SER205D, SER210C, SER210D, SER220C, SER220D, SER236C, SER236D, SER396C, SER396D, SER441C, SER441D, SER447C, SER447D, SER458C, SER458D, SER477C, SER477D, SER94C, SER94D, SER99C, SER99D, THR100C, THR100D, THR159C, THR159D, THR239C, THR239D, THR252C, THR252D, THR397C, THR397D, THR439C, THR439D, TRP101C, TRP101D, TRP135C, TRP135D, TRP150C, TRP150D, TRP284C, TRP284D, TYR202C, TYR202D, TYR445C, TYR445D, TYR478C, TYR478D, VAL124C, VAL124D, VAL151D, VAL184C, VAL184D, VAL185C, VAL185D, VAL187C, VAL187D, VAL212C, VAL212D, VAL225C, VAL225D, VAL234C, VAL234D, VAL462C, VAL462D, VAL464C, VAL464D, VAL471C, VAL471D, VAL474C, VAL474D, VAL96C, VAL96D
• C-E: ALA422E, ALA48C, ALA49C, ARG318E, ARG321E, ARG426E, ASN147E, ASN376C, ASN376E, ASN47C, ASP148E, ASP283E, ASP288E, ASP317E, ASP343C, ASP366C, ASP425E, CYS375C, CYS375E, GLN281E, GLN285E, GLN311C, GLN311E, GLU312C, GLY340C, GLY377E, GLY419E, GLY51C, HIS336C, ILE319C, ILE319E, LYS308C, LYS308E, LYS342C, LYS373C, LYS373E, LYS374C, LYS374E, LYS81C, MET322E, PHE282E, PHE46C, PRO287E, PRO320E, PRO423E, PRO45C, PRO50C, SER52C, SER67C, THR424E, TRP341C, TYR304C, TYR370C, VAL286E, VAL369C
• C-F: GLY340C, LYS342C, SER99F, THR100F, TRP101F
• E-F: ALA126E, ALA126F, ALA136E, ALA136F, ALA197E, ALA197F, ALA201E, ALA201F, ALA204E, ALA204F, ALA206E, ALA206F, ALA216E, ALA216F, ALA222E, ALA222F, ALA229E, ALA229F, ALA232E, ALA232F, ALA253E, ALA253F, ALA392E, ALA392F, ALA394E, ALA394F, ALA433E, ALA433F, ALA449F, ALA466E, ALA466F, ALA470E, ALA470F, ARG138E, ARG138F, ARG178E, ARG178F, ARG249E, ARG249F, ARG95E, ARG95F, ASN130E, ASN130F, ASN132E, ASN132F, ASN230E, ASN230F, ASN448E, ASN448F, ASN459E, ASN459F, ASN482E, ASP121E, ASP121F, ASP164E, ASP164F, ASP194E, ASP238E, ASP238F, ASP240E, ASP240F, ASP283E, ASP283F, ASP395E, ASP395F, ASP444E, ASP444F, ASP463E, ASP463F, ASP467E, ASP467F, ASP473E, ASP473F, ASP90E, ASP93E, ASP93F, CYS203E, CYS203F, CYS244E, CYS244F, GLN142E, GLN142F, GLN223E, GLN223F, GLN226E, GLN226F, GLN280E, GLN280F, GLN281E, GLN281F, GLN393E, GLN393F, GLN440E, GLN440F, GLU128E, GLU128F, GLU137E, GLU137F, GLU250E, GLU250F, GLU254E, GLU254F, GLU277E, GLU277F, GLY104E, GLY104F, GLY129E, GLY129F, GLY155E, GLY155F, GLY160E, GLY160F, GLY186E, GLY186F, GLY188F, GLY207E, GLY207F, GLY231E, GLY231F, GLY243E, GLY243F, GLY398E, GLY398F, GLY435E, GLY435F, GLY469E, GLY469F, GLY97E, GLY97F, HIS153E, HIS153F, HIS158E, HIS158F, HIS434E, HIS434F, HIS446E, HIS446F, ILE156E, ILE156F, ILE208E, ILE208F, ILE211E, ILE211F, ILE219E, ILE219F, ILE228E, ILE228F, ILE237E, ILE237F, ILE248E, ILE248F, ILE251E, ILE251F, ILE257E, ILE257F, ILE401E, ILE401F, ILE443E, ILE443F, LEU133E, LEU133F, LEU214E, LEU214F, LEU224E, LEU224F, LEU235E, LEU235F, LEU247E, LEU247F, LEU255E, LEU255F, LEU279E, LEU436E, LEU436F, LEU475E, LEU475F, LEU479E, LEU479F, LYS152E, LYS152F, LYS179E, LYS179F, LYS246E, LYS246F, LYS437E, LYS437F, LYS442E, LYS442F, LYS465E, LYS465F, LYS476E, LYS476F, LYS98E, LYS98F, MET221E, MET221F, MET391E, MET391F, MET399E, MET399F, MET472E, MET472F, PHE127E, PHE127F, PHE134E, PHE134F, PHE139E, PHE139F, PHE213E, PHE213F, PHE233E, PHE233F, PHE282E, PHE282F, PHE400E, PHE400F, PHE438E, PHE438F, PHE457E, PHE457F, PHE468E, PHE468F, PHE92E, PHE92F, PRO209E, PRO209F, PRO215E, PRO227E, PRO227F, PRO256E, PRO256F, PRO460E, PRO460F, PRO461E, PRO461F, SER105E, SER105F, SER125E, SER125F, SER131E, SER131F, SER157E, SER157F, SER161E, SER161F, SER200E, SER200F, SER205E, SER205F, SER210E, SER210F, SER220E, SER220F, SER236E, SER236F, SER396E, SER396F, SER441E, SER441F, SER447E, SER447F, SER458E, SER458F, SER477E, SER477F, SER94E, SER94F, SER99E, SER99F, THR100E, THR100F, THR159E, THR159F, THR239E, THR239F, THR252E, THR252F, THR397E, THR397F, THR439E, THR439F, THR483E, TRP101E, TRP101F, TRP135E, TRP135F, TRP150E, TRP150F, TRP284E, TRP284F, TYR202E, TYR202F, TYR445E, TYR445F, TYR478E, TYR478F, VAL124E, VAL124F, VAL151E, VAL151F, VAL184E, VAL184F, VAL185E, VAL185F, VAL187E, VAL187F, VAL212E, VAL212F, VAL225E, VAL225F, VAL234E, VAL234F, VAL462E, VAL462F, VAL464E, VAL464F, VAL471E, VAL471F, VAL474E, VAL474F, VAL96E, VAL96F