3IS5

crystal structure of cdpk kinase domain from toxoplasma gondii, tgme49_018720

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 96
  • Norm. En. per Res.: -4.7564
• 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	-91.3662	-9.6774	-260.013	-361.0567	83	13	13	10428	0	19	25
A-D	-8.0443	-11.419	-82.0869	-101.5502	55	2	1	3626	0	25	27
A-F	0.0	-22.9521	-102.351	-125.3031	69	2	1	4879	1	26	27
B-C	-6.3085	-31.9251	-84.4369	-122.6705	65	4	1	4020	1	26	28
B-E	0.0	-40.2035	-95.9035	-136.107	63	2	1	4230	4	23	27
C-D	-103.5503	0.1774	-245.696	-349.0689	74	8	13	9902	0	18	30
C-E	-12.0515	-4.736	-88.7122	-105.4997	61	9	1	4094	0	25	28
D-F	-13.5395	-13.5555	-84.1785	-111.2735	56	2	1	3847	0	22	24
E-F	-120.7838	41.0913	-376.925	-456.6175	96	15	15	13818	0	27	39

Interface residues

• A-B: ALA180B, ARG155A, ARG155B, ARG161A, ARG161B, ASN124A, ASN205A, ASN205B, ASP132A, ASP132B, ASP133A, ASP133B, ASP202A, ASP202B, GLN128A, GLN128B, GLU154A, GLU154B, GLU176B, GLU179A, GLU179B, GLU183A, GLU183B, GLU198A, GLU198B, GLU201A, GLU201B, GLY129A, GLY129B, GLY158A, GLY158B, HIS204A, HIS204B, ILE131A, ILE131B, ILE163A, ILE163B, ILE166B, ILE178B, ILE182A, ILE182B, ILE196A, ILE196B, ILE208B, LEU125A, LEU125B, LEU134A, LEU134B, LEU159A, LEU159B, LYS168B, LYS186A, LYS186B, LYS195A, LYS195B, MET175B, MET206A, MET206B, PHE127A, PHE127B, PHE135A, PHE135B, PHE137B, PHE197A, PHE197B, PHE200A, PHE200B, SER156A, SER156B, SER157A, SER157B, THR130A, THR130B, TYR126A, TYR126B, TYR203A, TYR203B, TYR207A, TYR207B, VAL199A, VAL199B, VAL209A, VAL209B
• A-D: ALA225D, ALA227A, ALA227D, ALA238D, ARG139A, ARG221D, ARG228D, ASN192D, ASN246D, ASP270A, ASP270D, CYS213A, GLN226A, GLN243D, GLN269A, GLN269D, GLU160A, GLU214A, GLU217A, GLU220A, GLU239D, GLY142A, GLY215A, GLY216A, GLY229D, GLY235D, HIS150A, HIS274D, ILE277D, LEU141A, LEU151A, LEU240D, LEU267A, LYS138A, LYS140A, LYS230D, LYS242D, MET241D, PHE137A, PHE268A, PHE268D, PRO273D, PRO276D, SER143A, SER224A, SER224D, SER272D, SER275D, THR212A, THR271A, THR271D, TYR236D, VAL162A, VAL223A, VAL237D
• A-F: ALA225A, ALA225F, ALA227A, ALA227F, ALA238A, ARG139F, ARG221A, ARG221F, ARG228A, ARG228F, ASN192A, ASP270A, ASP270F, CYS213F, GLN226A, GLN226F, GLN243A, GLN269A, GLN269F, GLN395A, GLU160F, GLU214F, GLU217F, GLU220F, GLU239A, GLU264F, GLY142F, GLY215F, GLY216F, GLY229A, GLY235A, HIS150F, HIS274A, ILE222F, ILE277A, LEU141F, LEU151F, LEU218A, LEU219F, LEU240A, LEU267F, LYS138F, LYS140F, LYS230A, LYS242A, LYS394A, MET241A, PHE137F, PHE268A, PHE268F, PHE393A, PRO191A, PRO273A, PRO276A, SER143F, SER224A, SER224F, SER233A, SER272A, SER272F, SER275A, THR212F, THR271A, THR271F, TYR236A, VAL152F, VAL162F, VAL223F, VAL237A
• B-C: ALA225C, ALA227B, ALA227C, ALA238B, ALA396B, ARG139C, ARG221B, ARG221C, ARG228B, ARG228C, ASN192B, ASP148C, ASP270B, ASP270C, CYS213C, GLN226C, GLN243B, GLN269B, GLN269C, GLN395B, GLU160C, GLU214B, GLU214C, GLU217C, GLU220C, GLU239B, GLY142C, GLY215B, GLY215C, GLY216C, GLY229B, GLY235B, HIS150C, HIS274B, ILE222C, ILE277B, LEU141C, LEU151C, LEU219C, LEU240B, LEU267C, LYS138C, LYS140C, LYS230B, LYS242B, PHE137C, PHE268B, PHE268C, PRO191B, PRO273B, PRO276B, SER143C, SER224B, SER224C, SER272B, SER272C, SER275B, THR212C, THR271B, THR271C, TYR236B, VAL152C, VAL162C, VAL223C, VAL237B
• B-E: ALA225B, ALA225E, ALA227B, ALA227E, ALA238E, ARG139B, ARG221B, ARG221E, ARG228B, ARG228E, ASN192E, ASP270B, ASP270E, CYS213B, GLN226B, GLN243E, GLN269B, GLU160B, GLU214B, GLU217B, GLU220B, GLU239E, GLY142B, GLY215B, GLY215E, GLY216B, GLY229E, GLY235E, HIS150B, HIS274E, ILE222B, ILE277E, LEU141B, LEU151B, LEU219B, LEU240E, LEU267B, LYS138B, LYS140B, LYS230E, LYS242E, MET241E, PHE137B, PHE268B, PHE268E, PRO191E, PRO273E, PRO276E, SER143B, SER224B, SER224E, SER233E, SER272B, SER272E, SER275E, THR212B, THR271B, THR271E, TYR236E, VAL152B, VAL162B, VAL223B, VAL237E
• C-D: ARG155C, ARG155D, ARG161C, ARG161D, ASN124D, ASN205C, ASN205D, ASP132C, ASP132D, ASP133C, ASP133D, ASP202C, ASP202D, GLN128C, GLN128D, GLU154C, GLU154D, GLU179C, GLU179D, GLU183C, GLU183D, GLU198C, GLU198D, GLU201C, GLU201D, GLY129C, GLY129D, GLY158C, GLY158D, HIS204C, ILE131C, ILE131D, ILE163C, ILE182C, ILE182D, ILE196C, ILE196D, LEU125C, LEU125D, LEU134C, LEU134D, LEU159C, LEU159D, LYS168D, LYS186C, LYS186D, LYS195C, LYS195D, MET206C, MET206D, PHE127C, PHE127D, PHE135C, PHE135D, PHE197C, PHE197D, PHE200C, PHE200D, SER156C, SER156D, SER157C, SER157D, THR130C, THR130D, TYR126C, TYR126D, TYR203C, TYR203D, TYR207C, TYR207D, VAL199C, VAL199D, VAL209C, VAL209D
• C-E: ALA225C, ALA227C, ALA227E, ALA238C, ARG139E, ARG221C, ARG228C, ARG228E, ASN192C, ASP270C, ASP270E, CYS213E, GLN226C, GLN226E, GLN243C, GLN269E, GLU160E, GLU214C, GLU214E, GLU217E, GLU220E, GLU239C, GLY142E, GLY215C, GLY215E, GLY216E, GLY229C, GLY235C, HIS150E, HIS274C, ILE277C, LEU141E, LEU151E, LEU240C, LEU267E, LYS138E, LYS140E, LYS230C, LYS242C, LYS394C, MET241C, PHE268C, PHE268E, PHE393C, PRO191C, PRO273C, PRO276C, SER143E, SER224C, SER224E, SER272C, SER272E, SER275C, THR212E, THR271C, THR271E, TYR236C, VAL152E, VAL162E, VAL223E, VAL237C
• D-F: ALA227D, ALA227F, ALA238F, ALA396F, ARG139D, ARG221F, ARG228F, ASN192F, ASN246F, ASP270D, ASP270F, CYS213D, GLN226D, GLN243F, GLN269D, GLN395F, GLU160D, GLU214D, GLU217D, GLU220D, GLU239F, GLY142D, GLY215D, GLY216D, GLY229F, GLY235F, HIS150D, HIS274F, ILE277F, LEU141D, LEU151D, LEU240F, LEU267D, LYS138D, LYS140D, LYS242F, LYS394F, MET241F, PHE268D, PHE268F, PHE393F, PRO191F, PRO273F, PRO276F, SER143D, SER224D, SER272D, SER272F, SER275F, THR212D, THR271D, THR271F, TYR236F, VAL162D, VAL223D, VAL237F
• E-F: ALA180E, ALA180F, ARG122E, ARG155E, ARG155F, ARG161E, ARG161F, ASN124E, ASN124F, ASN205E, ASN205F, ASP132E, ASP132F, ASP133E, ASP133F, ASP202E, ASP202F, GLN128E, GLN128F, GLU123E, GLU123F, GLU154E, GLU154F, GLU176E, GLU176F, GLU179E, GLU179F, GLU181F, GLU183E, GLU183F, GLU198E, GLU198F, GLU201E, GLU201F, GLY121E, GLY129E, GLY129F, GLY158E, GLY158F, HIS204E, ILE131E, ILE131F, ILE163E, ILE163F, ILE166E, ILE166F, ILE178E, ILE178F, ILE182E, ILE182F, ILE196E, ILE196F, ILE208E, ILE208F, LEU125E, LEU125F, LEU134E, LEU134F, LEU159E, LEU159F, LYS168E, LYS168F, LYS186E, LYS186F, LYS195E, LYS195F, MET175E, MET175F, MET206E, MET206F, PHE127E, PHE127F, PHE135E, PHE135F, PHE137E, PHE197E, PHE197F, PHE200E, PHE200F, PHE288F, SER156E, SER156F, SER157E, SER157F, THR130E, THR130F, TYR126E, TYR126F, TYR203E, TYR203F, TYR207E, TYR207F, VAL199E, VAL199F, VAL209E, VAL209F