3QV8

crystal structure of leishmania mexicana pyruvate kinase(lmpyk)in complex with benzothiazole-2,5-disulfonic acid.

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: D-A
  • Int. Res.: 211
  • Norm. En. per Res.: -2.888
• Hub Node: D(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
D-A	-50.0666	-47.9827	-511.324	-609.3733	211	19	25	25595	8	42	36

Interface residues

• D-A: ALA261A, ALA261D, ALA271A, ALA271D, ALA277A, ALA277D, ALA288A, ALA288D, ALA295A, ALA295D, ALA311A, ALA311D, ALA317A, ALA317D, ALA319A, ALA319D, ALA347A, ALA353A, ALA353D, ALA356A, ALA356D, ALA4A, ALA4D, ARG262A, ARG262D, ARG307A, ARG307D, ARG310A, ARG310D, ARG348A, ARG348D, ARG413A, ARG413D, ASN167D, ASN241A, ASN241D, ASN247A, ASN247D, ASN286A, ASN286D, ASN318A, ASN318D, ASN322A, ASN322D, ASN358A, ASN358D, ASN364A, ASN364D, ASN6A, ASN6D, ASP13A, ASP13D, ASP145D, ASP249A, ASP249D, ASP264A, ASP264D, ASP315A, ASP315D, CYS285A, CYS285D, CYS294A, CYS294D, CYS350A, CYS350D, GLN243A, GLN243D, GLN246A, GLN246D, GLN278A, GLN278D, GLN297A, GLN297D, GLN2A, GLN2D, GLN354A, GLN354D, GLU268A, GLU268D, GLU272A, GLU272D, GLU300A, GLU300D, GLU312A, GLU312D, GLU352A, GLU352D, GLY146D, GLY181D, GLY244A, GLY244D, GLY263A, GLY263D, GLY266A, GLY266D, GLY323A, GLY323D, HIS242A, HIS242D, HIS5A, HIS5D, ILE11A, ILE11D, ILE147D, ILE149D, ILE248A, ILE248D, ILE252A, ILE252D, ILE269A, ILE269D, ILE280A, ILE280D, ILE282A, ILE282D, ILE349A, ILE349D, ILE366A, ILE366D, LEU265A, LEU265D, LEU281A, LEU281D, LEU299A, LEU299D, LEU351A, LEU351D, LEU357A, LEU357D, LEU369A, LEU369D, LEU3A, LEU3D, LEU7A, LEU7D, LEU9A, LEU9D, LYS273A, LYS273D, LYS279A, LYS279D, LYS284A, LYS284D, LYS367A, LYS367D, LYS368A, LYS368D, LYS411A, LYS411D, MET298A, MET298D, MET346A, PHE12A, PHE12D, PHE321A, PHE321D, PHE362A, PHE362D, PHE363A, PHE363D, PRO14A, PRO14D, PRO180D, PRO270A, PRO270D, PRO308A, PRO308D, SER10A, SER10D, SER1A, SER1D, SER283A, SER283D, SER301A, SER301D, SER314A, SER314D, SER355A, SER355D, SER365A, SER365D, THR296A, THR296D, THR309A, THR309D, THR8A, THR8D, TYR142D, TYR345A, TYR345D, VAL15A, VAL15D, VAL245A, VAL245D, VAL260A, VAL260D, VAL267D, VAL274A, VAL274D, VAL275A, VAL275D, VAL276A, VAL276D, VAL287A, VAL287D, VAL313A, VAL313D, VAL316A, VAL316D, VAL361A, VAL361D