3STH

crystal structure of glyceraldehyde-3-phosphate dehydrogenase from toxoplasma gondii

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 183
  • Norm. En. per Res.: -5.1098
• 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	-53.6572	-47.5127	-396.707	-497.8769	121	22	2	14374	2	28	24
A-C	-33.127	-64.8643	-107.958	-205.9493	58	5	1	3875	3	22	24
A-D	-150.6979	-138.5898	-642.224	-931.5117	184	27	25	25831	21	40	25
B-C	-151.5342	-138.1197	-645.435	-935.0889	183	28	24	25800	21	40	24
B-D	-41.1518	-60.849	-107.814	-209.8148	58	4	0	3821	2	23	24
C-D	-64.668	-46.0097	-375.041	-485.7187	123	12	2	13882	2	26	23

Interface residues

• A-B: ALA180A, ALA180B, ALA183A, ALA183B, ALA200A, ALA200B, ALA204A, ALA204B, ARG12A, ARG12B, ARG15A, ARG15B, ARG199A, ARG199B, ARG202A, ARG202B, ARG47A, ARG47B, ASN184A, ASN184B, ASN207A, ASN207B, ASN319A, ASN319B, ASP189A, ASP189B, ASP197A, ASP197B, ASP241A, ASP241B, ASP34A, ASP34B, ASP40A, ASP40B, ASP49A, ASP49B, GLN185A, GLN185B, GLU320A, GLU320B, GLY11A, GLY11B, GLY190A, GLY190B, GLY194A, GLY194B, GLY195A, GLY195B, GLY201A, GLY201B, GLY205A, GLY205B, GLY53A, GLY53B, HIS52A, HIS52B, HIS54A, HIS54B, HIS61A, HIS61B, ILE13B, ILE209A, ILE209B, LEU186A, LEU186B, LEU39A, LEU39B, LEU45A, LEU45B, LYS193A, LYS193B, LYS196A, LYS196B, MET181A, MET181B, MET37A, MET37B, MET42A, MET42B, PHE10A, PHE10B, PHE36A, PHE36B, PRO191A, PRO191B, PRO238A, PRO238B, PRO240A, PRO240B, PRO35A, PRO35B, SER192A, SER192B, SER203A, SER203B, SER38A, SER38B, SER50A, SER50B, THR182A, THR182B, THR187A, THR187B, TRP198A, TRP198B, TYR41A, TYR41B, TYR44A, TYR44B, TYR48A, TYR48B, VAL188A, VAL188B, VAL206A, VAL206B, VAL239A, VAL239B, VAL43A, VAL43B, VAL51A, VAL51B
• A-C: ARG47A, ARG47C, ASP281A, ASP281C, ASP288A, ASP288C, ASP49A, ASP49C, CYS292A, CYS292C, GLU282A, GLU282C, GLU283A, GLU283C, GLY205A, GLY205C, GLY53A, GLY53C, HIS291A, HIS291C, HIS52A, HIS52C, HIS54A, HIS54C, PHE289A, PHE289C, PHE294A, PHE294C, PRO240A, PRO240C, SER286A, SER286C, SER287A, SER287C, SER50A, SER50C, THR280A, THR280C, TYR41A, TYR41C, TYR44A, TYR44C, TYR48A, TYR48C, VAL206A, VAL206C, VAL284A, VAL284C, VAL285A, VAL285C, VAL290A, VAL290C, VAL297C, VAL43A, VAL43C, VAL51A, VAL51C, VAL59A
• A-D: ALA180A, ALA180D, ALA200A, ALA200D, ALA204A, ALA204D, ALA211A, ALA211D, ALA216A, ALA216D, ALA234A, ALA234D, ALA302A, ALA302D, ARG199A, ARG199D, ARG202A, ARG202D, ARG236A, ARG236D, ASN207A, ASN207D, ASN227A, ASN227D, ASN301A, ASN301D, ASN307A, ASN307D, ASN319A, ASN319D, ASP189A, ASP189D, ASP197A, ASP197D, ASP241A, ASP241D, ASP246A, ASP246D, ASP281A, ASP281D, ASP288A, ASP288D, ASP299A, ASP299D, ASP308A, CYS249A, CYS249D, GLN185A, GLN185D, GLU172A, GLU172D, GLU282A, GLU282D, GLU283A, GLU283D, GLY173A, GLY173D, GLY201A, GLY201D, GLY205A, GLY205D, GLY214A, GLY214D, GLY228A, GLY228D, GLY232A, GLY232D, GLY303A, GLY303D, HIS179A, HIS179D, ILE170A, ILE170D, ILE208A, ILE208D, ILE209A, ILE209D, ILE300A, ILE300D, ILE304A, ILE304D, LEU174A, LEU174D, LEU226A, LEU226D, LEU230A, LEU230D, LEU247A, LEU247D, LEU251A, LEU251D, LEU306A, LEU306D, LEU313A, LEU313D, LYS196A, LYS196D, LYS217A, LYS217D, LYS229A, LYS229D, LYS250A, LYS250D, LYS312A, LYS312D, MET175A, MET175D, MET181A, MET181D, MET233A, MET233D, MET305A, MET305D, PHE235A, PHE235D, PHE289A, PHE289D, PHE310A, PHE310D, PRO210A, PRO210D, PRO238A, PRO238D, PRO240A, PRO240D, SER203A, SER203D, SER212A, SER212D, SER243A, SER243D, SER286A, SER286D, SER287A, SER287D, SER315A, SER315D, THR176A, THR176D, THR177A, THR177D, THR213A, THR213D, THR231A, THR231D, THR248A, THR248D, THR280A, THR280D, THR309A, THR309D, TRP198A, TRP198D, TRP316A, TRP316D, TYR257A, TYR317A, TYR317D, VAL171A, VAL171D, VAL178A, VAL178D, VAL206A, VAL206D, VAL237A, VAL237D, VAL239A, VAL239D, VAL242A, VAL242D, VAL244A, VAL244D, VAL245A, VAL245D, VAL284A, VAL284D, VAL285A, VAL285D, VAL290A, VAL290D, VAL311A, VAL311D, VAL314A, VAL314D
• B-C: ALA180B, ALA180C, ALA200B, ALA200C, ALA204B, ALA204C, ALA211B, ALA211C, ALA216B, ALA216C, ALA234B, ALA234C, ALA302B, ALA302C, ARG199B, ARG199C, ARG202B, ARG202C, ARG236B, ARG236C, ASN207B, ASN207C, ASN227B, ASN227C, ASN301B, ASN301C, ASN307B, ASN307C, ASN319B, ASN319C, ASP189B, ASP189C, ASP197B, ASP197C, ASP241B, ASP241C, ASP246B, ASP246C, ASP281B, ASP281C, ASP288B, ASP288C, ASP299B, ASP299C, CYS249B, CYS249C, GLN185B, GLN185C, GLU172B, GLU172C, GLU282B, GLU282C, GLU283B, GLU283C, GLY173B, GLY173C, GLY201B, GLY201C, GLY205B, GLY205C, GLY214B, GLY214C, GLY228B, GLY228C, GLY232B, GLY232C, GLY303B, GLY303C, HIS179B, HIS179C, ILE170B, ILE170C, ILE208B, ILE208C, ILE209B, ILE209C, ILE300B, ILE300C, ILE304B, ILE304C, LEU174B, LEU174C, LEU226B, LEU226C, LEU230B, LEU230C, LEU247B, LEU247C, LEU251B, LEU251C, LEU306B, LEU306C, LEU313B, LEU313C, LYS196B, LYS196C, LYS217B, LYS217C, LYS229B, LYS229C, LYS250B, LYS250C, LYS312B, LYS312C, MET175B, MET175C, MET181B, MET181C, MET233B, MET233C, MET305B, MET305C, PHE235B, PHE235C, PHE289B, PHE289C, PHE310B, PHE310C, PRO210B, PRO210C, PRO238B, PRO238C, PRO240B, PRO240C, SER203B, SER203C, SER212B, SER212C, SER243B, SER243C, SER286B, SER286C, SER287B, SER287C, SER315B, SER315C, THR176B, THR176C, THR177B, THR177C, THR213B, THR213C, THR231B, THR231C, THR248B, THR248C, THR280B, THR280C, THR309B, THR309C, TRP198B, TRP198C, TRP316B, TRP316C, TYR257C, TYR317B, TYR317C, VAL171B, VAL171C, VAL178B, VAL178C, VAL206B, VAL206C, VAL237B, VAL237C, VAL239B, VAL239C, VAL242B, VAL242C, VAL244B, VAL244C, VAL245B, VAL245C, VAL284B, VAL284C, VAL285B, VAL285C, VAL290B, VAL290C, VAL311B, VAL311C, VAL314B, VAL314C
• B-D: ARG47B, ARG47D, ASP281B, ASP281D, ASP288B, ASP288D, ASP49B, ASP49D, CYS292B, CYS292D, GLU282B, GLU282D, GLU283B, GLU283D, GLY205B, GLY205D, GLY53B, GLY53D, HIS291B, HIS291D, HIS52B, HIS52D, HIS54B, HIS54D, PHE289B, PHE289D, PHE294B, PHE294D, PRO240B, PRO240D, SER286B, SER286D, SER287B, SER287D, SER50B, SER50D, THR280B, THR280D, TYR41B, TYR41D, TYR44B, TYR44D, TYR48B, TYR48D, VAL206B, VAL206D, VAL284B, VAL284D, VAL285B, VAL285D, VAL290B, VAL290D, VAL297D, VAL43B, VAL43D, VAL51B, VAL51D, VAL59B
• C-D: ALA180C, ALA180D, ALA183C, ALA183D, ALA200C, ALA200D, ALA204C, ALA204D, ARG12C, ARG12D, ARG15C, ARG15D, ARG199C, ARG199D, ARG202C, ARG202D, ARG47C, ARG47D, ASN184C, ASN184D, ASN207C, ASN207D, ASN319C, ASN319D, ASP189C, ASP189D, ASP197C, ASP197D, ASP241C, ASP241D, ASP34C, ASP34D, ASP40C, ASP40D, ASP49C, ASP49D, GLN185C, GLN185D, GLU320C, GLU320D, GLY11C, GLY11D, GLY190C, GLY190D, GLY194C, GLY194D, GLY195C, GLY195D, GLY201C, GLY201D, GLY205C, GLY205D, GLY53C, GLY53D, HIS52C, HIS52D, HIS54C, HIS54D, HIS61C, HIS61D, ILE13C, ILE209C, ILE209D, LEU186C, LEU186D, LEU39C, LEU39D, LEU45C, LEU45D, LYS193C, LYS193D, LYS196C, LYS196D, MET181C, MET181D, MET37C, MET37D, MET42C, MET42D, PHE10C, PHE10D, PHE36C, PHE36D, PRO191C, PRO191D, PRO210C, PRO210D, PRO238C, PRO238D, PRO240C, PRO240D, PRO35C, PRO35D, SER192C, SER192D, SER203C, SER203D, SER38C, SER38D, SER50C, SER50D, THR182C, THR182D, THR187C, THR187D, TRP198C, TRP198D, TYR41C, TYR41D, TYR44C, TYR44D, TYR48C, TYR48D, VAL188C, VAL188D, VAL206C, VAL206D, VAL239C, VAL239D, VAL43C, VAL43D, VAL51C, VAL51D