3PP7

crystal structure of leishmania mexicana pyruvate kinase in complex with the drug suramin, an inhibitor of glycolysis.

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 212
  • Norm. En. per Res.: -3.0179
• 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	-57.2283	-53.3794	-529.191	-639.7987	212	16	25	25912	8	44	36

Interface residues

• A-B: ALA261A, ALA261B, ALA271A, ALA271B, ALA277A, ALA277B, ALA288A, ALA288B, ALA295A, ALA295B, ALA311A, ALA311B, ALA317A, ALA317B, ALA319A, ALA319B, ALA347A, ALA347B, ALA353A, ALA353B, ALA356A, ALA356B, ALA4A, ALA4B, ARG262A, ARG262B, ARG307A, ARG307B, ARG310A, ARG310B, ARG348A, ARG348B, ARG413A, ARG413B, ASN241A, ASN241B, ASN247A, ASN247B, ASN286A, ASN286B, ASN318A, ASN318B, ASN322A, ASN322B, ASN358A, ASN358B, ASN364A, ASN364B, ASN6A, ASN6B, ASP13A, ASP13B, ASP145B, ASP249A, ASP249B, ASP264B, ASP315A, ASP315B, CYS285A, CYS285B, CYS294A, CYS294B, CYS350A, CYS350B, GLN243A, GLN243B, GLN246A, GLN246B, GLN278A, GLN278B, GLN297A, GLN297B, GLN2A, GLN2B, GLN354A, GLN354B, GLN370A, GLU268A, GLU268B, GLU272A, GLU272B, GLU300A, GLU300B, GLU312A, GLU312B, GLU352A, GLU352B, GLY146B, GLY181A, GLY244A, GLY244B, GLY263A, GLY263B, GLY266A, GLY266B, GLY323A, GLY323B, HIS242A, HIS242B, HIS5A, HIS5B, ILE11A, ILE11B, ILE147B, ILE149B, ILE248A, ILE248B, ILE252A, ILE252B, ILE269A, ILE269B, ILE280A, ILE280B, ILE282A, ILE282B, ILE349A, ILE349B, ILE366A, ILE366B, LEU265A, LEU265B, LEU281A, LEU281B, LEU299A, LEU299B, LEU351A, LEU351B, LEU357A, LEU357B, LEU369A, LEU369B, LEU3A, LEU3B, LEU7A, LEU7B, LEU9A, LEU9B, LYS273A, LYS273B, LYS279A, LYS279B, LYS284A, LYS284B, LYS367A, LYS367B, LYS368A, LYS368B, LYS411A, LYS411B, MET298A, MET298B, MET346B, PHE12A, PHE12B, PHE321A, PHE321B, PHE362A, PHE362B, PHE363A, PHE363B, PRO14A, PRO14B, PRO180A, PRO180B, PRO270A, PRO270B, PRO308A, PRO308B, SER10A, SER10B, SER1A, SER1B, SER283A, SER283B, SER301A, SER301B, SER314A, SER314B, SER355A, SER355B, SER365A, SER365B, THR296A, THR296B, THR309A, THR309B, THR8A, THR8B, TYR142B, TYR345A, TYR345B, VAL15A, VAL15B, VAL245A, VAL245B, VAL260A, VAL260B, VAL267B, VAL274A, VAL274B, VAL275A, VAL275B, VAL276A, VAL276B, VAL287A, VAL287B, VAL313A, VAL313B, VAL316A, VAL316B, VAL361A, VAL361B