2OO0

a structural insight into the inhibition of human and leishmania donovani ornithine decarboxylases by 3-aminooxy-1-aminopropane

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 252
  • Norm. En. per Res.: -3.8736
• 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	-166.4057	-131.5836	-678.164	-976.1532	252	32	13	26943	11	76	62

Interface residues

• A-B: ALA111A, ALA111B, ALA145A, ALA145B, ALA156B, ALA172A, ALA172B, ALA292A, ALA292B, ALA388A, ALA388B, ALA392A, ALA392B, ALA393A, ALA393B, ALA394A, ALA394B, ALA39A, ALA39B, ALA67A, ALA67B, ALA90A, ALA90B, ARG144A, ARG144B, ARG154A, ARG154B, ARG165A, ARG165B, ARG175A, ARG277A, ARG365A, ARG365B, ARG402A, ARG402B, ASN112A, ASN112B, ASN289A, ASN289B, ASN319A, ASN319B, ASN327A, ASN327B, ASN398A, ASN398B, ASN71A, ASN71B, ASP134A, ASP134B, ASP159A, ASP159B, ASP320A, ASP332A, ASP332B, ASP35A, ASP35B, ASP361A, ASP361B, ASP364A, ASP364B, ASP36A, ASP36B, ASP38A, ASP38B, ASP72A, ASP72B, ASP88A, ASP88B, CYS114A, CYS114B, CYS164A, CYS164B, CYS328A, CYS328B, CYS360A, CYS360B, CYS70A, CYS70B, CYS89A, CYS89B, GLN116A, GLN116B, GLN119A, GLN119B, GLN401A, GLN401B, GLN96A, GLN96B, GLU136A, GLU136B, GLU138A, GLU138B, GLU368A, GLU368B, GLU374A, GLU94A, GLU94B, GLY171A, GLY171B, GLY199A, GLY199B, GLY321A, GLY321B, GLY324A, GLY324B, GLY357A, GLY357B, GLY362A, GLY362B, GLY378A, GLY378B, GLY399A, GLY399B, HIS197A, HIS197B, HIS333A, HIS333B, HIS376A, HIS376B, ILE120A, ILE120B, ILE290A, ILE290B, ILE291A, ILE291B, ILE295A, ILE295B, ILE329A, ILE329B, ILE355A, ILE355B, ILE366A, ILE366B, ILE95A, ILE95B, LEU166A, LEU166B, LEU179A, LEU180A, LEU180B, LEU297A, LEU297B, LEU330A, LEU330B, LEU363A, LEU363B, LEU97B, LYS115A, LYS115B, LYS121A, LYS121B, LYS141A, LYS141B, LYS169A, LYS169B, LYS293A, LYS293B, LYS294A, LYS294B, LYS37A, LYS37B, LYS69A, LYS69B, LYS92A, LYS92B, MET140A, MET140B, MET315A, MET315B, MET375A, MET375B, PHE133A, PHE133B, PHE170A, PHE170B, PHE314A, PHE314B, PHE326A, PHE326B, PHE397A, PHE397B, PHE400A, PHE400B, PRO113A, PRO113B, PRO358A, PRO358B, SER118A, SER118B, SER135A, SER135B, SER167A, SER167B, SER200A, SER200B, SER33B, SER34A, SER34B, SER354A, SER354B, SER395A, SER395B, SER91A, SER91B, THR173A, THR173B, THR176A, THR176B, THR359A, THR359B, THR390A, THR390B, THR396A, THR396B, THR93A, THR93B, TRP356A, TRP356B, TRP380A, TRP380B, TYR110A, TYR110B, TYR316A, TYR316B, TYR317A, TYR317B, TYR323A, TYR323B, TYR331A, TYR331B, TYR389A, TYR389B, VAL117A, VAL117B, VAL137A, VAL137B, VAL163A, VAL163B, VAL168A, VAL168B, VAL296A, VAL296B, VAL318A, VAL318B, VAL322A, VAL322B, VAL377A, VAL377B, VAL391A, VAL391B, VAL68A, VAL68B