4A5A

crystal structure of the c258s/c268s variant of toxoplasma gondii nucleoside triphosphate diphosphohydrolase 3 (ntpdase3) in complex with magnesium and amppnp

• Total interactions analyzed: 6
• Total true interactions: 2
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 156
  • Norm. En. per Res.: -2.2369
• Hub Node: A(1)

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	-31.6552	-16.7592	-287.629	-336.0434	156	12	5	12799	0	48	52
C-D	-33.0737	-16.3371	-299.545	-348.9558	156	12	6	13080	0	48	55

Interface residues

• A-B: ALA135A, ALA135B, ALA201A, ALA201B, ALA455B, ALA466A, ALA466B, ALA467A, ALA467B, ARG136A, ARG136B, ARG192A, ARG192B, ARG199A, ARG199B, ARG207A, ARG207B, ARG229A, ARG229B, ARG300A, ARG300B, ARG306A, ARG306B, ARG308A, ARG308B, ARG479A, ARG479B, ASN224A, ASN224B, ASN303A, ASN303B, ASN400A, ASN400B, ASN409A, ASN409B, ASN463A, ASN463B, ASP193A, ASP193B, ASP200A, ASP200B, ASP475A, ASP475B, GLN305A, GLN305B, GLN412A, GLN412B, GLN476A, GLN476B, GLU196A, GLU196B, GLU235A, GLU307A, GLU307B, GLU312A, GLU312B, GLU402A, GLU402B, GLU410A, GLU410B, GLU415A, GLU415B, GLU465A, GLU465B, GLU472A, GLU472B, GLU575A, GLU575B, GLU614A, GLU614B, GLY470A, GLY470B, HIS195A, HIS195B, HIS608A, ILE403A, ILE403B, ILE464A, ILE464B, LEU202A, LEU295A, LEU295B, LEU458A, LEU458B, LYS406A, LYS406B, LYS457A, LYS457B, MET411A, MET411B, PHE139A, PHE139B, PHE194A, PHE194B, PHE226A, PHE226B, PHE405A, PHE405B, PHE471A, PHE471B, PHE480A, PHE480B, PHE611A, PHE611B, PRO225A, PRO225B, PRO230A, PRO230B, PRO296A, PRO296B, PRO401A, PRO401B, PRO456A, PRO456B, PRO459A, PRO459B, SER297A, SER297B, SER298A, SER298B, SER404A, SER404B, SER468A, SER468B, SER469A, SER469B, SER473A, SER473B, THR228A, THR228B, THR232A, THR232B, THR293A, THR293B, THR408A, THR408B, TRP197A, TRP197B, TRP227A, TRP227B, TYR198A, TYR198B, TYR395A, TYR395B, VAL142A, VAL142B, VAL191A, VAL191B, VAL204A, VAL204B, VAL294A, VAL294B, VAL299A, VAL299B, VAL407A, VAL407B
• C-D: ALA135C, ALA135D, ALA201C, ALA201D, ALA466C, ALA466D, ALA467C, ALA467D, ARG136C, ARG136D, ARG192C, ARG192D, ARG199C, ARG199D, ARG207C, ARG207D, ARG229C, ARG229D, ARG300C, ARG300D, ARG306C, ARG306D, ARG308C, ARG308D, ARG479C, ARG479D, ASN224C, ASN224D, ASN303C, ASN303D, ASN400C, ASN400D, ASN409C, ASN409D, ASN463C, ASN463D, ASP193C, ASP193D, ASP200C, ASP200D, ASP475C, ASP475D, GLN305C, GLN305D, GLN412C, GLN412D, GLN476C, GLN476D, GLU196C, GLU196D, GLU235C, GLU235D, GLU307C, GLU307D, GLU312C, GLU312D, GLU402C, GLU402D, GLU410C, GLU410D, GLU415C, GLU415D, GLU465C, GLU465D, GLU472C, GLU472D, GLU575C, GLU575D, GLU614C, GLU614D, GLY470C, GLY470D, HIS195C, HIS195D, ILE403C, ILE403D, ILE464C, ILE464D, LEU116C, LEU295C, LEU295D, LEU458C, LEU458D, LYS406C, LYS406D, LYS457C, LYS457D, MET411C, MET411D, PHE139C, PHE139D, PHE194C, PHE194D, PHE203D, PHE226C, PHE226D, PHE405C, PHE405D, PHE471C, PHE471D, PHE480C, PHE480D, PHE611C, PHE611D, PRO225C, PRO225D, PRO230C, PRO230D, PRO296C, PRO296D, PRO401C, PRO401D, PRO456C, PRO456D, PRO459C, PRO459D, SER297C, SER297D, SER298C, SER298D, SER404C, SER404D, SER468C, SER468D, SER469C, SER469D, SER473C, SER473D, THR228C, THR228D, THR232C, THR232D, THR293C, THR293D, THR408C, THR408D, TRP197C, TRP197D, TRP227C, TRP227D, TYR198C, TYR198D, TYR395C, TYR395D, VAL142C, VAL142D, VAL191C, VAL191D, VAL204C, VAL204D, VAL294C, VAL294D, VAL299C, VAL299D, VAL407C, VAL407D