3CIF

crystal structure of c153s mutant glyceraldehyde 3-phosphate dehydrogenase from cryptosporidium parvum

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 179
  • Norm. En. per Res.: -5.0314
• 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	-127.423	-140.241	-632.96	-900.624	179	29	20	25140	19	38	25
A-C	-9.1041	-2.3661	-97.1092	-108.5794	50	2	1	3618	0	10	15
A-D	-74.7926	-48.4962	-421.845	-545.1337	127	15	3	14670	2	26	23
B-C	-66.521	-49.5322	-418.338	-534.3911	129	13	3	14555	2	26	23
B-D	-10.9661	-7.7188	-96.5029	-115.1878	51	1	0	3642	1	10	15
C-D	-118.2224	-122.9874	-638.474	-879.6838	182	20	20	25334	17	36	26

Interface residues

• A-B: ALA201A, ALA201B, ALA205A, ALA205B, ALA212A, ALA212B, ALA217A, ALA217B, ALA235A, ALA235B, ALA302A, ALA302B, ALA305A, ALA305B, ARG200A, ARG200B, ARG203A, ARG203B, ARG237A, ARG237B, ASN207A, ASN207B, ASN208A, ASN208B, ASN228A, ASN228B, ASN301A, ASN301B, ASN307A, ASN307B, ASN319A, ASN319B, ASP190A, ASP190B, ASP198A, ASP198B, ASP242A, ASP242B, ASP247A, ASP247B, ASP282A, ASP282B, ASP283A, ASP283B, ASP288A, ASP288B, ASP299A, ASP299B, CYS204A, CYS204B, CYS250A, CYS250B, CYS303A, CYS303B, GLN186A, GLN186B, GLU173A, GLU173B, GLY174A, GLY174B, GLY202A, GLY202B, GLY206A, GLY206B, GLY229A, GLY229B, GLY233A, GLY233B, HIS180A, HIS180B, ILE171A, ILE171B, ILE209A, ILE209B, ILE210A, ILE210B, ILE236A, ILE236B, ILE258A, ILE258B, ILE290A, ILE290B, ILE304A, ILE304B, ILE314A, ILE314B, LEU175A, LEU175B, LEU182A, LEU182B, LEU227A, LEU227B, LEU231A, LEU231B, LEU248A, LEU248B, LEU252A, LEU252B, LEU306A, LEU306B, LEU313A, LEU313B, LYS197A, LYS218A, LYS230A, LYS230B, LYS251A, LYS251B, LYS300A, LYS300B, LYS312A, LYS312B, MET176A, MET176B, MET234A, MET234B, PHE289A, PHE289B, PHE310A, PHE310B, PRO211A, PRO211B, PRO239A, PRO239B, PRO241A, PRO241B, SER181A, SER181B, SER213B, SER244A, SER244B, SER281A, SER281B, SER286A, SER286B, SER309A, SER309B, SER315A, SER315B, THR177A, THR177B, THR178A, THR178B, THR214A, THR214B, THR232A, THR232B, THR240A, THR240B, THR249A, THR249B, THR280A, THR280B, THR287A, THR287B, TRP199A, TRP199B, TRP316A, TRP316B, TYR317A, TYR317B, VAL172A, VAL172B, VAL179A, VAL179B, VAL238A, VAL238B, VAL243A, VAL243B, VAL245A, VAL245B, VAL246A, VAL246B, VAL284A, VAL284B, VAL285A, VAL285B, VAL311A, VAL311B
• A-C: ASN207A, ASN207C, ASN54A, ASN54C, ASP282A, ASP282C, ASP283A, ASP283C, ASP288A, ASP288C, ASP49A, ASP49C, CYS292A, CYS292C, GLY206A, GLY206C, GLY53A, GLY53C, HIS52A, HIS52C, ILE290A, ILE290C, LYS47A, LYS47C, PHE289A, PHE289C, PRO241A, PRO241C, SER281A, SER281C, SER286A, SER286C, SER50A, SER50C, THR280A, THR280C, THR287A, THR287C, TYR41A, TYR41C, TYR44A, TYR44C, TYR48A, TYR48C, VAL284A, VAL284C, VAL285A, VAL285C, VAL51A, VAL51C
• A-D: ALA184A, ALA184D, ALA201A, ALA201D, ALA205A, ALA205D, ALA43A, ALA43D, ARG12A, ARG12D, ARG15A, ARG15D, ARG19A, ARG19D, ARG200A, ARG200D, ARG203A, ARG203D, ARG237A, ASN185A, ASN185D, ASN207A, ASN207D, ASN208A, ASN208D, ASN319A, ASN319D, ASN54A, ASN54D, ASP190A, ASP190D, ASP198A, ASP198D, ASP242A, ASP242D, ASP34A, ASP34D, ASP38A, ASP38D, ASP49A, ASP49D, CYS204A, CYS204D, GLN186A, GLN186D, GLU320A, GLU320D, GLU40A, GLU40D, GLY11A, GLY11D, GLY191A, GLY191D, GLY195A, GLY195D, GLY196A, GLY196D, GLY202A, GLY202D, GLY206A, GLY206D, GLY53A, GLY53D, HIS52A, HIS52D, ILE13A, ILE13D, ILE210A, ILE210D, ILE290A, ILE290D, LEU182A, LEU182D, LEU187A, LEU187D, LEU45A, LEU45D, LYS194A, LYS194D, LYS197A, LYS197D, LYS47A, LYS47D, MET37A, MET37D, MET42A, MET42D, PHE10A, PHE10D, PHE36A, PHE36D, PRO192A, PRO192D, PRO239A, PRO239D, PRO241A, PRO241D, PRO35A, PRO35D, SER181A, SER181D, SER193A, SER193D, SER50A, SER50D, THR183A, THR183D, THR188A, THR188D, THR240A, THR240D, TRP199A, TRP199D, TYR41A, TYR41D, TYR44A, TYR44D, TYR48A, TYR48D, VAL189A, VAL189D, VAL39A, VAL39D, VAL51A, VAL51D, VAL61A, VAL61D
• B-C: ALA184B, ALA184C, ALA201B, ALA201C, ALA205B, ALA205C, ALA43B, ALA43C, ARG12B, ARG12C, ARG15B, ARG15C, ARG19B, ARG19C, ARG200B, ARG200C, ARG203B, ARG203C, ARG237B, ARG237C, ASN185B, ASN185C, ASN207B, ASN207C, ASN208B, ASN208C, ASN319B, ASN319C, ASN54B, ASN54C, ASP190B, ASP190C, ASP198B, ASP198C, ASP242B, ASP242C, ASP34B, ASP34C, ASP38B, ASP38C, ASP49B, ASP49C, CYS204B, CYS204C, GLN186B, GLN186C, GLU320B, GLU320C, GLU40B, GLU40C, GLY11B, GLY11C, GLY191B, GLY191C, GLY195B, GLY195C, GLY196B, GLY196C, GLY202B, GLY202C, GLY206B, GLY206C, GLY53B, GLY53C, HIS52B, HIS52C, ILE13B, ILE13C, ILE209C, ILE210B, ILE210C, ILE290B, ILE290C, LEU182B, LEU182C, LEU187B, LEU187C, LEU45B, LEU45C, LYS194B, LYS194C, LYS197B, LYS197C, LYS47B, LYS47C, MET37B, MET37C, MET42B, MET42C, PHE10B, PHE10C, PHE36B, PHE36C, PRO192B, PRO192C, PRO239B, PRO239C, PRO241B, PRO241C, PRO35B, PRO35C, SER181B, SER181C, SER193B, SER193C, SER50B, SER50C, THR183B, THR183C, THR188B, THR188C, THR240B, THR240C, TRP199B, TRP199C, TYR41B, TYR41C, TYR44B, TYR44C, TYR48B, TYR48C, VAL189B, VAL189C, VAL39B, VAL39C, VAL51B, VAL51C, VAL61B, VAL61C
• B-D: ASN207B, ASN207D, ASN54B, ASN54D, ASP282B, ASP282D, ASP283B, ASP283D, ASP288B, ASP288D, ASP49B, ASP49D, CYS292B, CYS292D, GLY206B, GLY206D, GLY53B, GLY53D, HIS52B, HIS52D, ILE290B, ILE290D, ILE297B, LYS47B, LYS47D, PHE289B, PHE289D, PRO241B, PRO241D, SER281B, SER281D, SER286B, SER286D, SER50B, SER50D, THR280B, THR280D, THR287B, THR287D, TYR41B, TYR41D, TYR44B, TYR44D, TYR48B, TYR48D, VAL284B, VAL284D, VAL285B, VAL285D, VAL51B, VAL51D
• C-D: ALA201C, ALA201D, ALA205C, ALA205D, ALA212C, ALA212D, ALA217C, ALA217D, ALA235C, ALA235D, ALA302C, ALA302D, ALA305C, ALA305D, ARG200C, ARG200D, ARG203C, ARG203D, ARG237C, ARG237D, ASN207C, ASN207D, ASN208C, ASN208D, ASN228C, ASN228D, ASN301C, ASN301D, ASN307C, ASN307D, ASN319C, ASN319D, ASP190C, ASP190D, ASP198C, ASP198D, ASP242C, ASP242D, ASP247C, ASP247D, ASP282C, ASP282D, ASP283C, ASP283D, ASP288C, ASP288D, ASP299C, ASP299D, CYS204C, CYS204D, CYS250C, CYS250D, CYS303C, CYS303D, GLN186C, GLN186D, GLU173C, GLU173D, GLY174C, GLY174D, GLY202C, GLY202D, GLY206C, GLY206D, GLY215D, GLY229C, GLY229D, GLY233C, GLY233D, HIS180C, HIS180D, ILE171C, ILE171D, ILE209C, ILE209D, ILE210C, ILE210D, ILE236C, ILE236D, ILE258C, ILE258D, ILE290C, ILE290D, ILE304C, ILE304D, ILE314C, ILE314D, LEU175C, LEU175D, LEU182C, LEU182D, LEU227C, LEU227D, LEU231C, LEU231D, LEU248C, LEU248D, LEU252C, LEU252D, LEU306C, LEU306D, LEU313C, LEU313D, LYS197C, LYS197D, LYS218D, LYS230C, LYS230D, LYS251C, LYS251D, LYS300C, LYS300D, LYS312C, LYS312D, MET176C, MET176D, MET234C, MET234D, PHE289C, PHE289D, PHE310C, PHE310D, PRO211C, PRO211D, PRO239C, PRO239D, PRO241C, PRO241D, SER181C, SER181D, SER213C, SER213D, SER244C, SER244D, SER281C, SER281D, SER286C, SER286D, SER309C, SER309D, SER315C, SER315D, THR177C, THR177D, THR178C, THR178D, THR214C, THR214D, THR232C, THR232D, THR240C, THR240D, THR249C, THR249D, THR280C, THR280D, THR287C, THR287D, TRP199C, TRP199D, TRP316C, TRP316D, TYR317C, TYR317D, VAL172C, VAL172D, VAL179C, VAL179D, VAL238C, VAL238D, VAL243C, VAL243D, VAL245C, VAL245D, VAL246C, VAL246D, VAL284C, VAL284D, VAL285C, VAL285D, VAL311C, VAL311D