1QK3

toxoplasma gondii hypoxanthine-guanine phosphoribosyltransferase gmp complex

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 39
  • Norm. En. per Res.: -3.3832
• 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	-49.26	-52.0311	-391.501	-492.7921	151	15	2	15126	2	46	52
A-C	-22.8195	-38.5031	-184.343	-245.6656	85	3	3	7689	0	36	39
A-D	-18.7561	-31.7189	-81.4708	-131.9457	39	5	3	3367	2	17	19
B-C	-37.297	-20.4996	-79.7437	-137.5403	42	5	3	3244	3	16	18
B-D	-23.7434	-39.1808	-171.396	-234.3202	81	4	3	7283	0	36	39
C-D	-24.5136	-14.6805	-173.373	-212.567	100	8	0	6995	2	41	40

Interface residues

• A-B: ALA93A, ALA93B, ARG101A, ARG101B, ARG114A, ARG114B, ARG212A, ARG212B, ARG82A, ARG82B, ASN120A, ASN120B, ASN122A, ASN122B, ASN208A, ASN208B, ASN86A, ASN86B, ASP121A, ASP121B, ASP132B, ASP147B, ASP213A, ASP213B, ASP215A, ASP215B, ASP90A, ASP90B, CYS38A, CYS38B, CYS76A, CYS76B, GLN119A, GLN119B, GLN126A, GLN126B, GLN96A, GLN96B, GLU102A, GLU102B, GLU110A, GLU110B, GLU146A, GLU146B, GLU209A, GLU209B, GLU71A, GLU71B, GLY100B, GLY125A, GLY125B, GLY80A, GLY80B, GLY83A, GLY83B, HIS111A, HIS111B, HIS216A, HIS216B, HIS37A, HIS37B, HIS73A, HIS73B, ILE136A, ILE148B, ILE77A, ILE77B, ILE89A, ILE89B, LEU115A, LEU115B, LEU127A, LEU127B, LEU130A, LEU155B, LEU33A, LEU33B, LEU72A, LEU72B, LEU78A, LEU78B, LEU87A, LEU87B, LEU88B, LYS116A, LYS116B, LYS39A, LYS39B, LYS53A, LYS53B, LYS79A, LYS79B, LYS97A, LYS97B, MET210A, MET210B, PHE108A, PHE108B, PHE109A, PHE109B, PHE211A, PHE211B, PHE214A, PHE214B, PHE85A, PHE85B, PRO106A, PRO106B, PRO107A, PRO107B, PRO35A, PRO35B, PRO36A, PRO36B, SER103A, SER103B, SER104A, SER104B, SER117A, SER117B, SER123A, SER131A, SER131B, SER81A, SER81B, SER99B, THR124A, THR124B, THR128A, THR128B, THR154A, THR154B, THR94A, THR94B, TRP199A, TRP199B, TYR112A, TYR112B, TYR118A, TYR118B, TYR98A, TYR98B, VAL105A, VAL105B, VAL113A, VAL113B, VAL129A, VAL129B, VAL145B, VAL34A, VAL34B
• A-C: ALA29A, ALA29C, ALA60A, ALA60C, ARG55A, ARG55C, ARG65A, ARG65C, ASN28A, ASN28C, ASP215A, ASP215C, ASP30A, ASP30C, ASP31A, ASP31C, ASP54A, ASP54C, ASP62A, ASP62C, GLU17A, GLU17C, GLU57A, GLU57C, GLY192A, GLY192C, GLY49A, GLY49C, GLY50A, GLY50C, HIS216A, HIS216C, HIS64A, ILE16A, ILE16C, ILE21A, ILE21C, ILE45A, ILE45C, ILE95A, ILE95C, LEU33A, LEU33C, LEU47A, LEU47C, LEU51A, LEU51C, LEU59A, LEU59C, LYS39A, LYS39C, LYS53A, LYS53C, LYS58A, LYS58C, MET19A, MET19C, PHE193A, PHE193C, PHE26A, PHE26C, PHE32A, PHE32C, PRO18A, PRO18C, PRO35A, PRO36A, PRO36C, PRO48A, PRO48C, THR25A, TYR20A, TYR20C, TYR27A, TYR27C, TYR61A, TYR61C, TYR91A, TYR91C, VAL34A, VAL34C, VAL52A, VAL52C, VAL56A, VAL56C
• A-D: ALA60A, ALA60D, ARG101A, ARG101D, ARG65A, ARG65D, ASP54A, ASP54D, ASP90D, GLN96A, GLN96D, GLU102A, GLU102D, GLU57A, GLU57D, GLY100A, GLY100D, HIS64A, HIS64D, ILE95A, ILE95D, LEU92A, LYS58A, LYS58D, LYS97A, LYS97D, PHE68D, SER103A, SER99A, SER99D, THR94A, THR94D, TYR61A, TYR61D, TYR91A, TYR91D, TYR98A, TYR98D, VAL56A
• B-C: ALA60B, ALA60C, ALA93B, ALA93C, ARG101B, ARG101C, ARG65B, ARG65C, ASP54B, ASP62B, ASP90B, ASP90C, GLN96B, GLN96C, GLU102B, GLU102C, GLU57B, GLU57C, GLY100B, GLY100C, HIS64B, HIS64C, ILE95B, ILE95C, LEU92B, LYS58B, LYS58C, LYS97B, LYS97C, PHE68B, PHE68C, SER103B, SER99B, SER99C, THR94B, THR94C, TYR61B, TYR61C, TYR91B, TYR91C, TYR98B, TYR98C
• B-D: ALA29B, ALA29D, ALA60B, ALA60D, ARG55B, ARG55D, ARG65B, ARG65D, ASN28B, ASN28D, ASP215B, ASP215D, ASP30B, ASP30D, ASP31B, ASP31D, ASP54B, ASP54D, ASP62B, ASP62D, GLU17B, GLU17D, GLU57B, GLU57D, GLY192B, GLY192D, GLY49B, GLY49D, GLY50B, GLY50D, HIS216B, HIS216D, ILE16B, ILE16D, ILE21B, ILE21D, ILE45B, ILE45D, ILE95B, ILE95D, LEU33B, LEU33D, LEU47B, LEU47D, LEU51B, LEU51D, LEU59B, LEU59D, LYS39B, LYS39D, LYS53B, LYS53D, LYS58B, LYS58D, MET19B, MET19D, PHE193B, PHE193D, PHE26B, PHE26D, PHE32B, PHE32D, PRO18B, PRO18D, PRO36B, PRO36D, PRO48B, PRO48D, TYR20B, TYR20D, TYR27B, TYR27D, TYR61B, TYR61D, TYR91B, TYR91D, VAL34B, VAL34D, VAL52B, VAL52D, VAL56B
• C-D: ALA93C, ALA93D, ARG101C, ARG101D, ARG114D, ARG212C, ARG212D, ARG82C, ARG82D, ASN208C, ASN208D, ASN86C, ASN86D, ASP213C, ASP213D, ASP215C, ASP215D, ASP90C, ASP90D, CYS38C, CYS38D, CYS76D, GLN96C, GLN96D, GLU102C, GLU102D, GLU110C, GLU110D, GLU209C, GLU209D, GLU71C, GLU71D, GLY100C, GLY100D, GLY49D, GLY80C, GLY80D, GLY83C, GLY83D, HIS111C, HIS111D, HIS216C, HIS216D, HIS37C, HIS37D, HIS73C, HIS73D, ILE89D, LEU33C, LEU33D, LEU72C, LEU72D, LEU78C, LEU78D, LYS39C, LYS39D, LYS53C, LYS53D, LYS97C, LYS97D, MET210C, MET210D, PHE108C, PHE108D, PHE109C, PHE109D, PHE211C, PHE211D, PHE214C, PHE214D, PHE228C, PHE32C, PHE32D, PHE85C, PHE85D, PRO106C, PRO106D, PRO107C, PRO107D, PRO35C, PRO35D, PRO36C, PRO36D, SER103C, SER103D, SER104C, SER104D, SER81C, SER81D, THR94C, THR94D, TYR112C, TYR112D, TYR98C, TYR98D, VAL105C, VAL105D, VAL113D, VAL34C, VAL34D