3KX6

crystal structure of fructose-1,6-bisphosphate aldolase from babesia bovis at 2.1a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 116
  • Norm. En. per Res.: -4.2672
• 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	-84.2192	-88.9772	-321.799	-494.9954	116	13	6	12245	4	32	34
A-C	-4.7361	0.0	-14.5313	-19.2674	22	0	0	718	0	6	10
A-D	-79.5648	-49.5661	-246.177	-375.3079	117	10	3	10730	2	37	36
B-C	-94.5661	-54.7602	-267.354	-416.6803	117	11	3	11716	2	39	39
B-D	-4.9762	0.0	-16.0999	-21.0761	23	1	0	692	0	6	10
C-D	-45.5351	-73.3248	-242.195	-361.0548	115	7	5	10534	2	38	38

Interface residues

• A-B: ALA10A, ALA10B, ALA14A, ALA14B, ALA166A, ALA166B, ALA209A, ALA209B, ALA210A, ALA210B, ALA214A, ALA214B, ALA254A, ALA254B, ALA262A, ALA262B, ARG206A, ARG206B, ARG253A, ARG253B, ARG256A, ARG256B, ARG257A, ARG257B, ARG9A, ARG9B, ASN216A, ASN216B, ASN289A, ASN289B, ASP217A, ASP217B, GLN7A, GLN7B, GLU12A, GLU12B, GLU15A, GLU15B, GLU198A, GLU198B, GLU202A, GLU202B, GLU205A, GLU205B, GLU223A, GLU223B, GLU8A, GLU8B, GLY224A, GLY224B, HIS291A, HIS291B, ILE162A, ILE162B, ILE357A, ILE357B, LEU13A, LEU13B, LEU163B, LEU208A, LEU208B, LEU215B, LEU221A, LEU221B, LEU222A, LEU222B, LEU250B, LEU255A, LEU255B, LEU263A, LEU263B, LEU5A, LEU5B, LYS11A, LYS11B, LYS213A, LYS213B, LYS219A, LYS219B, LYS290A, LYS290B, PHE212A, PHE212B, PHE249A, PHE249B, PRO260A, PRO260B, PRO261A, PRO261B, PRO264A, PRO264B, PRO292A, PRO292B, SER18B, SER252A, SER252B, SER6A, SER6B, THR204A, THR204B, THR258A, THR258B, TRP293A, TRP293B, TYR356A, TYR356B, TYR358A, TYR358B, VAL207A, VAL207B, VAL211A, VAL211B, VAL220A, VAL220B, VAL259A, VAL259B
• A-C: ARG206A, ARG206C, ASN155A, ASN155C, ASN159A, ASN159C, ASP151C, ILE162A, ILE162C, LEU163A, LYS153A, LYS153C, LYS154A, LYS154C, LYS156A, LYS156C, PRO157A, PRO157C, SER158A, SER158C, VAL152A, VAL152C
• A-D: ALA128A, ALA128D, ALA166A, ALA166D, ALA170A, ALA170D, ALA173A, ALA173D, ALA174A, ALA174D, ALA214A, ALA214D, ARG130A, ARG130D, ARG171A, ARG171D, ARG9A, ASN114A, ASN114D, ASN159A, ASN159D, ASN179A, ASN179D, ASN216A, ASN216D, ASP106D, ASP116A, ASP116D, ASP125A, ASP125D, ASP217A, ASP217D, CYS176A, CYS176D, GLN177A, GLN177D, GLN2A, GLU117A, GLU117D, GLU118A, GLU118D, GLU129A, GLU129D, GLU164A, GLU164D, GLU178A, GLU178D, GLY108A, GLY108D, GLY123A, GLY123D, GLY126A, GLY126D, HIS167A, HIS167D, HIS218A, HIS218D, ILE112A, ILE112D, ILE162A, ILE162D, ILE175A, ILE175D, LEU124A, LEU124D, LEU127A, LEU127D, LEU160A, LEU160D, LEU163A, LEU163D, LEU215A, LEU221A, LEU221D, LEU5A, LEU5D, LYS107A, LYS107D, LYS213A, LYS213D, LYS219A, LYS219D, LYS4A, LYS4D, PRO113A, PRO113D, SER120A, SER120D, SER158A, SER158D, SER161A, SER161D, SER6A, SER6D, THR111A, THR111D, THR115A, THR115D, THR121A, THR121D, THR122A, THR122D, THR165A, THR165D, THR168A, THR168D, TRP144A, TRP144D, TYR172A, TYR172D, VAL110A, VAL110D, VAL119A, VAL119D, VAL220A, VAL220D, VAL3A
• B-C: ALA128B, ALA128C, ALA166B, ALA166C, ALA170B, ALA170C, ALA173B, ALA173C, ALA174B, ALA174C, ALA214B, ALA214C, ARG130B, ARG130C, ARG171B, ARG171C, ARG9B, ASN114B, ASN114C, ASN159B, ASN159C, ASN179B, ASN179C, ASN216B, ASN216C, ASP106B, ASP106C, ASP116B, ASP116C, ASP125B, ASP125C, ASP217B, ASP217C, CYS176B, CYS176C, GLN177B, GLN177C, GLN2B, GLU117B, GLU117C, GLU118B, GLU118C, GLU129B, GLU129C, GLU164B, GLU164C, GLU178B, GLU178C, GLY123B, GLY123C, GLY126B, GLY126C, HIS167B, HIS167C, HIS218B, HIS218C, ILE112B, ILE112C, ILE162B, ILE162C, ILE175B, ILE175C, LEU124B, LEU124C, LEU127B, LEU127C, LEU160B, LEU160C, LEU163B, LEU163C, LEU215B, LEU221B, LEU221C, LEU5B, LEU5C, LYS107B, LYS107C, LYS213B, LYS213C, LYS219B, LYS219C, LYS4B, LYS4C, PRO113B, PRO113C, SER120B, SER120C, SER158B, SER158C, SER161B, SER161C, SER6B, SER6C, THR111B, THR111C, THR115B, THR115C, THR121B, THR121C, THR122B, THR122C, THR165B, THR165C, THR168B, THR168C, TRP144B, TRP144C, TYR172B, TYR172C, VAL110B, VAL110C, VAL119B, VAL119C, VAL220B, VAL220C, VAL3B, VAL3C
• B-D: ARG206B, ARG206D, ASN155B, ASN155D, ASN159B, ASN159D, ASP151D, ILE162B, ILE162D, LEU163B, LEU163D, LYS153B, LYS153D, LYS154B, LYS154D, LYS156B, LYS156D, PRO157B, PRO157D, SER158B, SER158D, VAL152B, VAL152D
• C-D: ALA10C, ALA10D, ALA14C, ALA14D, ALA166C, ALA166D, ALA17D, ALA209C, ALA209D, ALA210C, ALA210D, ALA214C, ALA214D, ALA254C, ALA254D, ALA262C, ALA262D, ALA354C, ALA354D, ARG206C, ARG206D, ARG253C, ARG253D, ARG256C, ARG256D, ARG257C, ARG257D, ASN216C, ASN216D, ASN289C, ASN289D, ASP217C, ASP217D, GLN7C, GLN7D, GLU15C, GLU15D, GLU202C, GLU202D, GLU205C, GLU205D, GLU223C, GLU223D, GLU8C, GLU8D, GLY224C, GLY224D, HIS291C, HIS291D, ILE162C, ILE162D, ILE357C, ILE357D, LEU13D, LEU163D, LEU208C, LEU208D, LEU215C, LEU215D, LEU221C, LEU221D, LEU222C, LEU222D, LEU255C, LEU255D, LEU263C, LEU263D, LEU5C, LEU5D, LYS11C, LYS11D, LYS213C, LYS213D, LYS219C, LYS219D, LYS290C, LYS290D, LYS355C, LYS355D, PHE212C, PHE212D, PHE249C, PHE249D, PRO260C, PRO260D, PRO261C, PRO261D, PRO264C, PRO264D, PRO292C, PRO292D, SER18C, SER18D, SER252C, SER252D, SER6C, SER6D, THR204C, THR204D, THR258C, THR258D, TRP293C, TRP293D, TYR356C, TYR356D, TYR358C, TYR358D, VAL207C, VAL207D, VAL211C, VAL211D, VAL220C, VAL220D, VAL259C, VAL259D