2QDH

fructose-1,6-bisphosphate aldolase from leishmania mexicana in complex with mannitol-1,6-bisphosphate, a competitive inhibitor

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 36
  • Norm. En. per Res.: -5.9959
• 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	-70.0452	6.7159	-146.36	-209.6893	36	11	3	6330	0	10	5
A-C	-67.1747	-10.327	-348.072	-425.5737	147	17	6	14053	6	50	25
A-D	-61.2525	-11.4606	-372.552	-445.2651	155	19	6	14909	4	30	31
B-C	-63.8128	-10.043	-379.926	-453.7818	150	16	8	15011	4	30	30
B-D	-69.5102	-11.9336	-347.037	-428.4808	150	18	6	13831	6	51	24
C-D	-77.706	7.2259	-145.373	-215.8531	36	9	3	6097	0	10	7

Interface residues

• A-B: ARG174A, ARG174B, ARG220A, ARG220B, ARG3A, ARG3B, GLN10A, GLN10B, GLN8A, GLN8B, GLU170A, GLU170B, HIS217A, HIS217B, LEU11A, LEU11B, LEU7A, LEU7B, LYS18A, LYS18B, MET1A, MET1B, PRO12A, PRO12B, SER2A, SER2B, SER9A, SER9B, THR5A, THR5B, TYR14A, TYR14B, VAL4A, VAL4B, VAL6A, VAL6B
• A-C: ALA128A, ALA128C, ALA13A, ALA13C, ALA172A, ALA172C, ALA181A, ALA181C, ALA224A, ALA224C, ALA225A, ALA225C, ARG143A, ARG143C, ARG16A, ARG16C, ARG174A, ARG174C, ARG182A, ARG182C, ARG228A, ARG228C, ASN15A, ASN15C, ASN165A, ASN165C, ASN176A, ASN176C, ASP138A, ASP138C, CYS122A, CYS122C, GLN10A, GLN10C, GLN132A, GLN132C, GLN164A, GLN164C, GLN227A, GLN227C, GLN8A, GLN8C, GLU126A, GLU126C, GLU129A, GLU129C, GLU131A, GLU131C, GLU135A, GLU135C, GLU170A, GLU170C, GLU178A, GLU178C, GLU221C, GLY127A, GLY127C, GLY130A, GLY130C, GLY136A, GLY136C, GLY139A, GLY139C, GLY166A, GLY166C, GLY230A, GLY230C, HIS217A, HIS217C, HIS229A, HIS229C, ILE163A, ILE163C, ILE185A, ILE185C, LEU11A, LEU11C, LEU124A, LEU124C, LEU125A, LEU125C, LEU137A, LEU137C, LEU17A, LEU17C, LEU186A, LEU186C, LEU7A, LEU7C, LYS142A, LYS142C, LYS162A, LYS162C, LYS18A, LYS18C, MET119A, MET119C, MET133A, MET133C, MET189A, MET189C, PHE175A, PHE175C, PRO123A, PRO123C, PRO12A, PRO12C, SER169A, SER169C, SER171A, SER171C, SER187A, SER187C, SER190A, SER190C, SER9A, SER9C, THR134A, THR134C, THR167A, THR167C, THR179A, THR179C, THR210A, THR210C, THR5A, THR5C, TRP157A, TRP157C, TYR140A, TYR140C, TYR14A, TYR14C, TYR183A, TYR183C, VAL141A, VAL141C, VAL168A, VAL168C, VAL214A, VAL214C, VAL231A, VAL231C, VAL4A, VAL4C, VAL6A, VAL6C
• A-D: ALA128A, ALA128D, ALA13A, ALA13D, ALA224A, ALA224D, ALA267A, ALA267D, ALA272A, ALA272D, ARG16A, ARG16D, ARG174A, ARG174D, ARG213A, ARG213D, ARG220A, ARG220D, ARG228A, ARG228D, ARG268A, ARG268D, ARG303A, ARG303D, ARG3A, ARG3D, ASN15A, ASN15D, ASN165A, ASN165D, ASP207A, ASP207D, ASP209A, ASP209D, CYS211A, CYS211D, GLN164A, GLN164D, GLN212A, GLN212D, GLN227A, GLN227D, GLN8A, GLN8D, GLU129A, GLU129D, GLU170A, GLU170D, GLU216A, GLU216D, GLU221A, GLU221D, GLU22A, GLU22D, GLU234A, GLU234D, GLY127A, GLY166A, GLY166D, GLY230A, GLY230D, GLY235A, HIS206A, HIS206D, HIS217A, HIS217D, HIS229A, HIS229D, HIS260A, HIS260D, ILE163A, ILE163D, ILE232A, ILE232D, ILE26A, ILE26D, LEU11A, LEU11D, LEU17A, LEU17D, LEU226A, LEU226D, LEU266A, LEU266D, LEU274A, LEU274D, LEU301A, LEU301D, LYS18A, LYS18D, LYS205A, LYS205D, LYS30A, MET1A, MET1D, MET264A, MET264D, MET270A, MET270D, MET273A, MET273D, PHE306A, PHE306D, PRO12A, PRO12D, PRO271A, PRO271D, PRO275A, PRO275D, PRO302A, PRO302D, PRO304A, PRO304D, SER169A, SER169D, SER215A, SER215D, SER2A, SER9A, SER9D, THR167A, THR167D, THR210A, THR210D, THR265A, THR265D, THR269A, THR269D, THR5D, TRP219A, TRP219D, TRP233A, TRP233D, TYR14A, TYR14D, TYR305A, TYR305D, VAL168A, VAL168D, VAL173A, VAL173D, VAL214A, VAL214D, VAL218A, VAL218D, VAL223A, VAL223D, VAL231A, VAL231D, VAL263A, VAL263D, VAL4A, VAL4D, VAL6A, VAL6D
• B-C: ALA128C, ALA13B, ALA13C, ALA224B, ALA224C, ALA267B, ALA267C, ALA272B, ALA272C, ARG16B, ARG16C, ARG174B, ARG174C, ARG213B, ARG213C, ARG220B, ARG220C, ARG228B, ARG228C, ARG268B, ARG268C, ARG303B, ARG303C, ARG3B, ARG3C, ASN15B, ASN15C, ASN165B, ASN165C, ASP207B, ASP207C, ASP209B, ASP209C, CYS211B, CYS211C, GLN164B, GLN164C, GLN212B, GLN212C, GLN227B, GLN227C, GLN8B, GLN8C, GLU129B, GLU129C, GLU170B, GLU170C, GLU216B, GLU216C, GLU221B, GLU221C, GLU22B, GLU22C, GLU234B, GLU234C, GLY166B, GLY166C, GLY230B, GLY230C, GLY235B, HIS206B, HIS206C, HIS217B, HIS217C, HIS229B, HIS229C, HIS260B, HIS260C, ILE163B, ILE163C, ILE232B, ILE232C, ILE26B, ILE26C, LEU11B, LEU11C, LEU17B, LEU17C, LEU226B, LEU226C, LEU266B, LEU266C, LEU274B, LEU274C, LEU301B, LEU301C, LYS18B, LYS18C, LYS30C, MET1B, MET1C, MET264B, MET264C, MET270B, MET270C, MET273B, MET273C, PRO12B, PRO12C, PRO271B, PRO271C, PRO275B, PRO275C, PRO302B, PRO302C, PRO304B, PRO304C, SER169B, SER169C, SER215B, SER215C, SER2B, SER2C, SER9B, SER9C, THR167B, THR167C, THR210B, THR210C, THR265B, THR265C, THR269B, THR269C, THR5C, TRP219B, TRP219C, TRP233B, TRP233C, TYR14B, TYR14C, TYR305B, TYR305C, VAL168B, VAL168C, VAL173B, VAL173C, VAL214B, VAL214C, VAL218B, VAL218C, VAL223B, VAL223C, VAL231B, VAL231C, VAL263B, VAL263C, VAL4B, VAL4C, VAL6B, VAL6C
• B-D: ALA128B, ALA128D, ALA13B, ALA13D, ALA172B, ALA172D, ALA181B, ALA181D, ALA224B, ALA224D, ALA225B, ALA225D, ARG143B, ARG143D, ARG16B, ARG16D, ARG174B, ARG174D, ARG182B, ARG182D, ARG213B, ARG213D, ARG228B, ARG228D, ASN15B, ASN15D, ASN165B, ASN165D, ASN176B, ASN176D, ASP138B, ASP138D, CYS122B, CYS122D, GLN10B, GLN10D, GLN132B, GLN132D, GLN164B, GLN164D, GLN227B, GLN227D, GLN8B, GLN8D, GLU126B, GLU126D, GLU129B, GLU129D, GLU131B, GLU131D, GLU135B, GLU135D, GLU170B, GLU170D, GLU178B, GLU178D, GLY127B, GLY127D, GLY130B, GLY130D, GLY136B, GLY136D, GLY139B, GLY139D, GLY166B, GLY166D, GLY230B, GLY230D, HIS217B, HIS217D, HIS229B, HIS229D, ILE163B, ILE163D, ILE185B, ILE185D, LEU11B, LEU11D, LEU124B, LEU124D, LEU125B, LEU125D, LEU137B, LEU137D, LEU17B, LEU17D, LEU186B, LEU186D, LEU7B, LEU7D, LYS142B, LYS142D, LYS162B, LYS162D, LYS18B, LYS18D, MET119B, MET119D, MET133B, MET133D, MET189B, MET189D, PHE175B, PHE175D, PRO123B, PRO123D, PRO12B, PRO12D, SER169B, SER169D, SER171B, SER171D, SER187B, SER187D, SER190B, SER190D, SER2B, SER2D, SER9B, SER9D, THR134B, THR134D, THR167B, THR167D, THR179B, THR179D, THR210B, THR210D, THR5B, THR5D, TRP157B, TRP157D, TYR140B, TYR140D, TYR14B, TYR14D, TYR183B, TYR183D, VAL141B, VAL141D, VAL168B, VAL168D, VAL214B, VAL214D, VAL231B, VAL231D, VAL4B, VAL4D, VAL6B, VAL6D
• C-D: ARG174C, ARG174D, ARG220C, ARG220D, ARG3C, ARG3D, GLN10C, GLN10D, GLN8C, GLN8D, GLU170C, GLU170D, HIS217C, HIS217D, LEU11C, LEU11D, LEU7C, LEU7D, LYS18C, LYS18D, MET1C, MET1D, PRO12C, PRO12D, SER2C, SER2D, SER9C, SER9D, THR5C, THR5D, TYR14C, TYR14D, VAL4C, VAL4D, VAL6C, VAL6D