1OHY

4-aminobutyrate-aminotransferase inactivated by gamma-ethynyl gaba

• Total interactions analyzed: 6
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 435
  • Norm. En. per Res.: -4.6059
• 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	-273.954	-99.6527	-1629.97	-2003.5768	435	77	55	64857	16	81	66
C-D	-246.9802	-95.2851	-1613.13	-1955.3953	438	66	52	64854	15	82	66

Interface residues

• A-B: ALA102A, ALA102B, ALA123B, ALA134A, ALA134B, ALA143A, ALA143B, ALA160A, ALA160B, ALA174A, ALA174B, ALA188A, ALA188B, ALA198A, ALA198B, ALA204A, ALA204B, ALA218A, ALA260A, ALA260B, ALA346A, ALA346B, ALA40A, ALA40B, ALA42A, ALA42B, ALA83A, ALA83B, ARG100A, ARG100B, ARG116A, ARG116B, ARG152A, ARG152B, ARG156A, ARG156B, ARG192A, ARG192B, ARG26A, ARG26B, ARG343A, ARG343B, ARG349A, ARG349B, ARG430A, ARG430B, ARG445A, ARG445B, ARG53A, ARG53B, ASN110A, ASN110B, ASN140A, ASN140B, ASN142A, ASN142B, ASN172A, ASN172B, ASN345A, ASN345B, ASN352A, ASN352B, ASN35A, ASN35B, ASN39A, ASN39B, ASN48A, ASN48B, ASN93A, ASN93B, ASN99A, ASN99B, ASP179A, ASP179B, ASP209A, ASP209B, ASP214A, ASP214B, ASP357A, ASP357B, ASP59A, ASP59B, ASP61A, ASP61B, ASP67A, ASP67B, CYS135A, CYS135B, CYS138A, CYS138B, CYS169A, CYS169B, CYS177A, CYS177B, CYS196A, CYS196B, CYS47A, CYS47B, GLN129A, GLN129B, GLN173A, GLN173B, GLN301A, GLN301B, GLN33A, GLN33B, GLN38A, GLN38B, GLN71A, GLN71B, GLN89A, GLN89B, GLN90A, GLN90B, GLN92A, GLN92B, GLU109A, GLU109B, GLU113A, GLU113B, GLU141A, GLU141B, GLU155B, GLU164A, GLU164B, GLU165A, GLU165B, GLU167A, GLU167B, GLU270A, GLU270B, GLU29A, GLU29B, GLU340A, GLU340B, GLU41A, GLU41B, GLU50A, GLU50B, GLU51A, GLU51B, GLY104A, GLY104B, GLY136A, GLY136B, GLY176A, GLY176B, GLY187A, GLY187B, GLY191A, GLY191B, GLY195A, GLY195B, GLY271A, GLY271B, GLY334A, GLY334B, GLY335B, GLY356A, GLY356B, GLY437A, GLY437B, GLY54A, GLY78A, GLY78B, HIS201A, HIS201B, HIS206A, HIS206B, HIS338A, HIS338B, HIS44A, HIS44B, HIS81A, HIS81B, ILE105A, ILE105B, ILE131A, ILE131B, ILE147A, ILE147B, ILE171A, ILE171B, ILE182A, ILE182B, ILE205A, ILE205B, ILE208A, ILE208B, ILE210A, ILE210B, ILE217A, ILE217B, ILE350A, ILE350B, ILE36A, ILE36B, ILE37A, ILE37B, ILE72A, ILE72B, ILE75A, ILE75B, ILE77A, ILE77B, ILE98A, ILE98B, LEU103A, LEU103B, LEU106A, LEU106B, LEU115A, LEU115B, LEU119A, LEU119B, LEU120A, LEU120B, LEU130A, LEU130B, LEU166A, LEU166B, LEU183A, LEU183B, LEU197A, LEU197B, LEU30A, LEU30B, LEU34A, LEU34B, LEU355A, LEU355B, LEU362A, LEU362B, LEU363A, LEU363B, LEU57A, LEU57B, LEU84A, LEU84B, LEU87A, LEU87B, LYS145A, LYS145B, LYS163A, LYS163B, LYS203A, LYS203B, LYS207A, LYS207B, LYS251A, LYS251B, LYS255A, LYS255B, LYS257A, LYS257B, LYS329A, LYS329B, LYS32A, LYS32B, LYS330A, LYS330B, LYS360A, LYS360B, LYS86A, LYS86B, MET127A, MET127B, MET133A, MET133B, MET149A, MET149B, MET170A, MET170B, MET186A, MET186B, MET194A, MET194B, MET31A, MET31B, MET331A, MET331B, MET332A, MET332B, MET435A, MET435B, MET65A, MET65B, PHE111A, PHE111B, PHE144A, PHE144B, PHE148A, PHE148B, PHE161A, PHE161B, PHE189A, PHE189B, PHE213A, PHE213B, PHE327A, PHE327B, PHE336A, PHE336B, PHE337A, PHE337B, PHE351A, PHE351B, PHE45A, PHE45B, PHE46A, PHE46B, PHE97A, PHE97B, PRO101A, PRO101B, PRO107A, PRO107B, PRO108A, PRO108B, PRO175A, PRO175B, PRO178A, PRO178B, PRO211A, PRO211B, PRO216A, PRO216B, PRO344A, PRO344B, PRO347A, PRO347B, PRO358A, PRO358B, PRO76A, PRO76B, PRO82A, PRO82B, PRO91A, PRO91B, SER128A, SER128B, SER137A, SER137B, SER139A, SER139B, SER153A, SER153B, SER162A, SER162B, SER181A, SER181B, SER184A, SER184B, SER202A, SER202B, SER212A, SER212B, SER27A, SER27B, SER328A, SER328B, SER359A, SER359B, SER52A, SER52B, SER70A, SER70B, SER73A, SER73B, SER74A, SER74B, SER80A, SER80B, SER95A, SER95B, THR132A, THR132B, THR146A, THR146B, THR168A, THR168B, THR193A, THR193B, THR199A, THR199B, THR200A, THR200B, THR258A, THR258B, THR333A, THR333B, THR353A, THR353B, THR96A, THR96B, TRP150A, TRP150B, TRP215A, TRP215B, TRP354A, TRP354B, TYR151A, TYR151B, TYR180A, TYR180B, TYR252A, TYR252B, TYR348A, TYR348B, TYR49A, TYR49B, TYR69A, TYR69B, TYR79A, TYR79B, VAL112A, VAL112B, VAL22A, VAL22B, VAL300A, VAL300B, VAL367A, VAL367B, VAL43A, VAL43B, VAL58A, VAL58B, VAL60A, VAL60B, VAL85A, VAL85B, VAL88A, VAL88B, VAL94A, VAL94B
• C-D: ALA102C, ALA102D, ALA123C, ALA134C, ALA134D, ALA143C, ALA143D, ALA160C, ALA160D, ALA174C, ALA174D, ALA188C, ALA188D, ALA198C, ALA198D, ALA204C, ALA204D, ALA218C, ALA260C, ALA260D, ALA346C, ALA346D, ALA40C, ALA40D, ALA42C, ALA42D, ALA83C, ALA83D, ARG100C, ARG100D, ARG116C, ARG116D, ARG152C, ARG152D, ARG156C, ARG156D, ARG192C, ARG192D, ARG26C, ARG26D, ARG343C, ARG343D, ARG349C, ARG349D, ARG430C, ARG430D, ARG445C, ARG445D, ARG53C, ARG53D, ASN110C, ASN110D, ASN140C, ASN140D, ASN142C, ASN142D, ASN172C, ASN172D, ASN345C, ASN345D, ASN352C, ASN352D, ASN35C, ASN35D, ASN39C, ASN39D, ASN48C, ASN48D, ASN93C, ASN93D, ASN99C, ASN99D, ASP179C, ASP179D, ASP209C, ASP209D, ASP214C, ASP214D, ASP357C, ASP357D, ASP59C, ASP59D, ASP61C, ASP61D, ASP67C, ASP67D, CYS135C, CYS135D, CYS138C, CYS138D, CYS169C, CYS169D, CYS177C, CYS177D, CYS196C, CYS196D, CYS47C, CYS47D, GLN129C, GLN129D, GLN173C, GLN173D, GLN301C, GLN301D, GLN33C, GLN33D, GLN38C, GLN38D, GLN71C, GLN71D, GLN89C, GLN89D, GLN90C, GLN90D, GLN92C, GLN92D, GLU109C, GLU109D, GLU113C, GLU113D, GLU141C, GLU141D, GLU155C, GLU155D, GLU164C, GLU164D, GLU165C, GLU165D, GLU167C, GLU167D, GLU270C, GLU270D, GLU29C, GLU29D, GLU340C, GLU340D, GLU41C, GLU41D, GLU50C, GLU50D, GLU51C, GLU51D, GLY104C, GLY104D, GLY136C, GLY136D, GLY176C, GLY176D, GLY187C, GLY187D, GLY191C, GLY191D, GLY195C, GLY195D, GLY271C, GLY271D, GLY334C, GLY334D, GLY335C, GLY335D, GLY356C, GLY356D, GLY437C, GLY437D, GLY54C, GLY54D, GLY78C, GLY78D, HIS201C, HIS201D, HIS206C, HIS206D, HIS338C, HIS338D, HIS44C, HIS44D, HIS81C, HIS81D, ILE105C, ILE105D, ILE131C, ILE131D, ILE147C, ILE147D, ILE171C, ILE171D, ILE182C, ILE182D, ILE205C, ILE205D, ILE208C, ILE208D, ILE210C, ILE210D, ILE217C, ILE217D, ILE350C, ILE350D, ILE36C, ILE36D, ILE37C, ILE37D, ILE72C, ILE72D, ILE75C, ILE75D, ILE77C, ILE77D, ILE98C, ILE98D, LEU103C, LEU103D, LEU106C, LEU106D, LEU115C, LEU115D, LEU119C, LEU119D, LEU120C, LEU120D, LEU130C, LEU130D, LEU166C, LEU166D, LEU183C, LEU183D, LEU197C, LEU197D, LEU30C, LEU30D, LEU34C, LEU34D, LEU355C, LEU355D, LEU362C, LEU362D, LEU363C, LEU363D, LEU57C, LEU57D, LEU84C, LEU84D, LEU87C, LEU87D, LYS145C, LYS145D, LYS163C, LYS163D, LYS203C, LYS203D, LYS207C, LYS207D, LYS251C, LYS251D, LYS255C, LYS255D, LYS257C, LYS257D, LYS329C, LYS329D, LYS32C, LYS32D, LYS330C, LYS330D, LYS360C, LYS360D, LYS86C, LYS86D, MET127C, MET127D, MET133C, MET133D, MET149C, MET149D, MET170C, MET170D, MET186C, MET186D, MET194C, MET194D, MET31C, MET31D, MET331C, MET331D, MET332C, MET332D, MET435C, MET435D, MET65C, MET65D, PHE111C, PHE111D, PHE144C, PHE144D, PHE148C, PHE148D, PHE161C, PHE161D, PHE189C, PHE189D, PHE213C, PHE213D, PHE327C, PHE327D, PHE336C, PHE336D, PHE337C, PHE337D, PHE351C, PHE351D, PHE45C, PHE45D, PHE46C, PHE46D, PHE97C, PHE97D, PRO101C, PRO101D, PRO107C, PRO107D, PRO108C, PRO108D, PRO175C, PRO175D, PRO178C, PRO178D, PRO211C, PRO211D, PRO216C, PRO216D, PRO344C, PRO344D, PRO347C, PRO347D, PRO358C, PRO358D, PRO76C, PRO76D, PRO82C, PRO82D, PRO91C, PRO91D, SER128C, SER128D, SER137C, SER137D, SER139C, SER139D, SER153C, SER153D, SER162C, SER162D, SER181C, SER181D, SER184C, SER184D, SER202C, SER202D, SER212C, SER212D, SER27C, SER27D, SER328C, SER328D, SER359C, SER359D, SER52C, SER52D, SER70C, SER70D, SER73C, SER73D, SER74C, SER74D, SER80C, SER80D, SER95C, SER95D, THR132C, THR132D, THR146C, THR146D, THR168C, THR168D, THR193C, THR193D, THR199C, THR199D, THR200C, THR200D, THR258C, THR258D, THR333C, THR333D, THR353C, THR353D, THR96C, THR96D, TRP150C, TRP150D, TRP215C, TRP215D, TRP354C, TRP354D, TYR151C, TYR151D, TYR180C, TYR180D, TYR252C, TYR252D, TYR348C, TYR348D, TYR49C, TYR49D, TYR69C, TYR69D, TYR79C, TYR79D, VAL112C, VAL112D, VAL22C, VAL22D, VAL300C, VAL300D, VAL367C, VAL367D, VAL43C, VAL43D, VAL58C, VAL58D, VAL60C, VAL60D, VAL85C, VAL85D, VAL88C, VAL88D, VAL94C, VAL94D