1V7C

crystal structure of threonine synthase from thermus thermophilus hb8 in complex with a substrate analogue

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 291
  • Norm. En. per Res.: -3.9103
• Hub Node: A(2)

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	-118.4733	-45.3099	-974.125	-1137.9082	291	30	66	41412	2	55	48
A-D	-7.9271	37.7916	-64.6761	-34.8115	44	2	0	2709	0	38	38
C-D	-107.9447	-13.8167	-957.484	-1079.2455	294	32	66	41154	2	55	46

Interface residues

• A-B: ALA103A, ALA109A, ALA109B, ALA113A, ALA113B, ALA118A, ALA118B, ALA125A, ALA125B, ALA137A, ALA137B, ALA147A, ALA147B, ALA279A, ALA279B, ALA325A, ALA325B, ALA327A, ALA327B, ALA331A, ALA331B, ALA339A, ALA339B, ALA343A, ALA343B, ALA345A, ALA345B, ALA346A, ALA346B, ALA347A, ALA347B, ALA348A, ALA348B, ALA49A, ALA49B, ALA79A, ALA79B, ALA81A, ALA81B, ALA83B, ALA90A, ALA90B, ALA93A, ALA93B, ALA94A, ALA94B, ALA96A, ALA96B, ALA97A, ALA97B, ALA99A, ALA99B, ARG126A, ARG126B, ARG139A, ARG139B, ARG276A, ARG276B, ARG280A, ARG280B, ARG2A, ARG2B, ARG329A, ARG329B, ARG340A, ARG340B, ARG63A, ARG8A, ARG8B, ARG98A, ARG98B, ASN133A, ASN133B, ASN55A, ASN55B, ASN87A, ASN87B, ASP136A, ASP136B, ASP173A, ASP173B, ASP323A, ASP323B, ASP62A, ASP62B, CYS286A, CYS286B, GLN119A, GLN119B, GLN129A, GLN129B, GLN142A, GLN142B, GLU131A, GLU131B, GLU146A, GLU146B, GLU170A, GLU170B, GLU174A, GLU174B, GLU26A, GLU26B, GLU281A, GLU281B, GLU282A, GLU282B, GLU287A, GLU287B, GLU328A, GLU328B, GLU332A, GLU332B, GLU342A, GLU342B, GLU52A, GLU52B, GLY100A, GLY100B, GLY110A, GLY110B, GLY115A, GLY115B, GLY124A, GLY124B, GLY132A, GLY132B, GLY176B, GLY27A, GLY27B, GLY283A, GLY283B, GLY318A, GLY318B, GLY320A, GLY320B, GLY349A, GLY349B, GLY36A, GLY36B, GLY53A, GLY53B, GLY58A, GLY58B, HIS123A, HIS123B, HIS319A, HIS319B, ILE101A, ILE101B, ILE104A, ILE104B, ILE127A, ILE127B, ILE22A, ILE22B, ILE284A, ILE284B, ILE32A, ILE32B, LEU102A, LEU102B, LEU107A, LEU107B, LEU114A, LEU114B, LEU121A, LEU121B, LEU140A, LEU140B, LEU144A, LEU144B, LEU175B, LEU24A, LEU24B, LEU25A, LEU25B, LEU272A, LEU272B, LEU278A, LEU278B, LEU31A, LEU31B, LEU321A, LEU321B, LEU333A, LEU333B, LEU341A, LEU341B, LEU34A, LEU34B, LEU350A, LEU350B, LEU351A, LEU351B, LEU54A, LEU54B, LYS116A, LYS116B, LYS143A, LYS143B, LYS322A, LYS322B, LYS35A, LYS35B, LYS50A, LYS50B, MET1A, MET1B, PHE148A, PHE148B, PHE285A, PHE285B, PRO108A, PRO108B, PRO149A, PRO149B, PRO288A, PRO288B, PRO30A, PRO30B, PRO324A, PRO324B, PRO334A, PRO334B, PRO335A, PRO335B, PRO336A, PRO336B, PRO338A, PRO338B, PRO33A, PRO33B, PRO3A, PRO3B, PRO4A, PRO4B, PRO56A, PRO56B, SER120A, SER120B, SER23A, SER23B, SER28A, SER28B, SER59A, SER59B, THR141A, THR141B, THR145A, THR145B, THR29A, THR29B, THR326A, THR326B, THR57A, THR57B, TYR275A, TYR275B, TYR277A, TYR277B, TYR48A, TYR48B, TYR51A, TYR51B, TYR95A, TYR95B, TYR9A, VAL105A, VAL105B, VAL106A, VAL106B, VAL112A, VAL112B, VAL117A, VAL117B, VAL122A, VAL122B, VAL128A, VAL128B, VAL130A, VAL130B, VAL150A, VAL150B, VAL171A, VAL330A, VAL330B, VAL337A, VAL337B, VAL344A, VAL344B
• A-D: ALA265D, ALA274D, ARG210A, ARG213A, ARG302D, ARG305D, ARG46A, ASP177A, ASP268D, GLU264D, GLU269D, GLU270D, GLU303D, GLU307A, GLU309A, GLU38D, GLU39D, GLY260A, GLY304D, GLY44A, HIS180A, HIS203A, ILE271D, ILE45A, LEU211A, LEU272D, LEU300D, LEU301D, LEU306A, LYS209A, LYS299D, LYS43A, LYS43D, PHE273D, PHE298D, PRO179A, PRO212A, PRO308A, SER259A, SER310A, THR267D, THR311A, TYR181A, VAL312A
• C-D: ALA103C, ALA103D, ALA109C, ALA109D, ALA113C, ALA113D, ALA118C, ALA118D, ALA125C, ALA125D, ALA137C, ALA137D, ALA147C, ALA147D, ALA279C, ALA279D, ALA325C, ALA325D, ALA327C, ALA327D, ALA331C, ALA331D, ALA339C, ALA339D, ALA343C, ALA343D, ALA345C, ALA345D, ALA346C, ALA346D, ALA347C, ALA347D, ALA348C, ALA348D, ALA49C, ALA49D, ALA79C, ALA79D, ALA81C, ALA81D, ALA90C, ALA90D, ALA93C, ALA93D, ALA94C, ALA94D, ALA96C, ALA96D, ALA97C, ALA97D, ALA99C, ALA99D, ARG126C, ARG126D, ARG139C, ARG139D, ARG276C, ARG276D, ARG280C, ARG280D, ARG2C, ARG2D, ARG329C, ARG329D, ARG340C, ARG340D, ARG46C, ARG63C, ARG63D, ARG8C, ARG8D, ARG98C, ARG98D, ASN133C, ASN133D, ASN55C, ASN55D, ASN87C, ASN87D, ASP136C, ASP136D, ASP173C, ASP173D, ASP323C, ASP323D, ASP62C, ASP62D, CYS286C, CYS286D, GLN119C, GLN119D, GLN129C, GLN129D, GLN142C, GLN142D, GLU131C, GLU131D, GLU146C, GLU146D, GLU170C, GLU170D, GLU174C, GLU174D, GLU26C, GLU26D, GLU281C, GLU281D, GLU282C, GLU282D, GLU287C, GLU287D, GLU328C, GLU328D, GLU332C, GLU332D, GLU342C, GLU342D, GLU52C, GLU52D, GLY100C, GLY100D, GLY110C, GLY110D, GLY115C, GLY115D, GLY124C, GLY124D, GLY132C, GLY132D, GLY27C, GLY27D, GLY283C, GLY283D, GLY318C, GLY318D, GLY320C, GLY320D, GLY349C, GLY349D, GLY36C, GLY36D, GLY53C, GLY53D, GLY58C, GLY58D, HIS123C, HIS123D, HIS319C, HIS319D, ILE101C, ILE101D, ILE104C, ILE104D, ILE127C, ILE127D, ILE22C, ILE22D, ILE284C, ILE284D, ILE32C, ILE32D, LEU102C, LEU102D, LEU107C, LEU107D, LEU114C, LEU114D, LEU121C, LEU121D, LEU140C, LEU140D, LEU144C, LEU144D, LEU175C, LEU24C, LEU24D, LEU25C, LEU25D, LEU272C, LEU272D, LEU278C, LEU278D, LEU31C, LEU31D, LEU321C, LEU321D, LEU333C, LEU333D, LEU341C, LEU341D, LEU34C, LEU34D, LEU350C, LEU350D, LEU351C, LEU351D, LEU54C, LEU54D, LYS116C, LYS116D, LYS143C, LYS143D, LYS322C, LYS322D, LYS35C, LYS35D, LYS50C, LYS50D, MET1C, MET1D, PHE148C, PHE148D, PHE285C, PHE285D, PRO108C, PRO108D, PRO149C, PRO149D, PRO288C, PRO288D, PRO30C, PRO30D, PRO324C, PRO324D, PRO334C, PRO334D, PRO335C, PRO335D, PRO336C, PRO336D, PRO338C, PRO338D, PRO33C, PRO33D, PRO3C, PRO3D, PRO4C, PRO4D, PRO56C, PRO56D, SER120C, SER120D, SER23C, SER23D, SER28C, SER28D, SER59C, SER59D, THR141C, THR141D, THR145C, THR145D, THR29C, THR29D, THR326C, THR326D, THR57C, THR57D, TYR275C, TYR275D, TYR277C, TYR277D, TYR48C, TYR48D, TYR51C, TYR51D, TYR95C, TYR95D, TYR9C, TYR9D, VAL105C, VAL105D, VAL106C, VAL106D, VAL112C, VAL112D, VAL117C, VAL117D, VAL122C, VAL122D, VAL128C, VAL128D, VAL130C, VAL130D, VAL150C, VAL150D, VAL171C, VAL171D, VAL330C, VAL330D, VAL337C, VAL337D, VAL344C, VAL344D