1TKC

specificity of coenzyme binding in thiamin diphosphate dependent enzymes: crystal structures of yeast transketolase in complex with analogs of thiamin diphosphate

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 434
  • Norm. En. per Res.: -3.6841
• Hub Node: A(1)

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	-195.1253	-108.7672	-1295.02	-1598.9125	434	56	16	48409	15	148	138

Interface residues

• A-B: ALA168A, ALA168B, ALA194A, ALA194B, ALA204A, ALA204B, ALA209A, ALA209B, ALA26A, ALA26B, ALA381A, ALA381B, ALA420A, ALA420B, ALA449A, ALA449B, ALA450A, ALA450B, ALA452A, ALA452B, ALA457A, ALA457B, ALA488A, ALA488B, ALA619A, ALA619B, ALA627A, ALA627B, ALA638A, ALA638B, ALA642A, ALA642B, ALA660A, ALA660B, ALA665A, ALA665B, ALA679A, ALA679B, ARG206A, ARG206B, ARG390A, ARG390B, ARG413A, ARG413B, ARG417A, ARG417B, ARG454A, ARG454B, ARG491A, ARG491B, ARG528A, ARG528B, ARG635A, ARG635B, ARG659A, ARG659B, ARG94A, ARG94B, ASN27A, ASN27B, ASN387A, ASN387B, ASN444A, ASN444B, ASN495A, ASN495B, ASP157A, ASP157B, ASP192A, ASP192B, ASP200A, ASP200B, ASP202A, ASP202B, ASP382A, ASP382B, ASP396A, ASP396B, ASP477A, ASP477B, ASP595A, ASP595B, ASP608A, ASP608B, ASP634A, ASP634B, ASP670A, ASP670B, CYS159A, CYS159B, CYS622A, CYS622B, GLN120A, GLN120B, GLN161A, GLN161B, GLN398A, GLN398B, GLN482A, GLN482B, GLN629A, GLN629B, GLN661A, GLN661B, GLN92A, GLN92B, GLN95A, GLN95B, GLU105A, GLU105B, GLU107B, GLU162A, GLU162B, GLU167A, GLU167B, GLU201A, GLU201B, GLU208A, GLU208B, GLU418A, GLU418B, GLU476A, GLU476B, GLU485A, GLU485B, GLU644A, GLU644B, GLU658A, GLU658B, GLY102A, GLY102B, GLY116A, GLY116B, GLY119A, GLY119B, GLY121A, GLY121B, GLY156A, GLY156B, GLY158A, GLY158B, GLY163A, GLY163B, GLY173A, GLY173B, GLY193A, GLY193B, GLY211A, GLY211B, GLY29A, GLY29B, GLY379A, GLY403B, GLY405A, GLY405B, GLY415A, GLY415B, GLY451A, GLY451B, GLY460A, GLY460B, GLY475A, GLY475B, GLY478A, GLY478B, GLY624A, GLY624B, GLY632A, GLY632B, GLY637A, GLY637B, GLY640A, GLY640B, GLY655A, GLY655B, GLY669A, GLY669B, GLY68A, GLY68B, GLY97A, GLY97B, HIS103A, HIS103B, HIS174A, HIS174B, HIS260A, HIS260B, HIS263A, HIS263B, HIS30A, HIS30B, HIS419A, HIS419B, HIS481A, HIS481B, HIS489A, HIS489B, HIS628A, HIS628B, HIS69A, HIS69B, ILE164A, ILE164B, ILE189A, ILE189B, ILE191A, ILE191B, ILE197A, ILE197B, ILE412A, ILE412B, ILE416A, ILE416B, ILE472B, ILE484A, ILE484B, ILE496A, ILE496B, ILE557A, ILE557B, ILE612A, ILE612B, ILE633A, ILE633B, ILE664A, ILE664B, ILE673A, ILE673B, LEU118A, LEU118B, LEU160A, LEU160B, LEU171A, LEU171B, LEU175A, LEU175B, LEU383A, LEU383B, LEU443A, LEU443B, LEU455A, LEU455B, LEU458A, LEU458B, LEU487A, LEU487B, LEU493A, LEU493B, LEU618A, LEU618B, LEU672A, LEU672B, LEU676A, LEU676B, LEU96A, LEU96B, LYS176A, LYS176B, LYS205A, LYS205B, LYS25A, LYS25B, LYS625A, LYS625B, LYS641A, LYS641B, LYS647A, LYS647B, LYS662A, LYS662B, LYS668A, LYS671A, LYS671B, LYS677A, LYS677B, LYS678A, LYS678B, MET613A, MET613B, PHE106A, PHE106B, PHE199A, PHE199B, PHE397A, PHE397B, PHE442A, PHE442B, PHE445A, PHE445B, PHE490A, PHE490B, PHE591A, PHE591B, PHE631A, PHE631B, PHE636A, PHE636B, PHE646A, PHE646B, PHE648A, PHE648B, PHE649A, PHE649B, PHE651A, PHE651B, PHE666A, PHE666B, PHE680A, PHE680B, PHE93A, PHE93B, PRO101A, PRO101B, PRO104A, PRO104B, PRO117A, PRO117B, PRO385A, PRO385B, PRO399A, PRO399B, PRO479A, PRO479B, PRO483A, PRO483B, PRO494A, PRO494B, PRO521A, PRO521B, PRO611B, PRO643A, PRO643B, PRO675A, PRO675B, SER165A, SER165B, SER166A, SER166B, SER169A, SER169B, SER170A, SER170B, SER196A, SER196B, SER198A, SER198B, SER28A, SER28B, SER380A, SER380B, SER386A, SER386B, SER402A, SER402B, SER404A, SER404B, SER447A, SER447B, SER456A, SER456B, SER459A, SER459B, SER471A, SER492A, SER492B, SER614A, SER614B, SER630A, SER630B, SER639A, SER639B, SER674A, SER674B, SER98A, SER98B, THR100A, THR100B, THR114A, THR114B, THR115A, THR115B, THR190A, THR190B, THR195A, THR195B, THR384A, THR384B, THR389A, THR389B, THR480A, THR480B, THR486A, THR486B, THR520B, THR620A, THR620B, THR621A, THR621B, THR663A, THR663B, TRP212A, TRP212B, TRP623A, TRP623B, TYR207A, TYR207B, TYR210A, TYR210B, TYR411A, TYR411B, TYR414A, TYR414B, TYR448A, TYR448B, TYR626A, TYR626B, TYR667A, TYR667B, VAL203A, VAL203B, VAL214A, VAL446A, VAL446B, VAL453A, VAL453B, VAL474A, VAL474B, VAL615A, VAL615B, VAL645A, VAL645B, VAL656A, VAL71A, VAL71B