3HM8

crystal structure of the c-terminal hexokinase domain of human hk3

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 114
  • Norm. En. per Res.: -2.1811
• Hub Node: A(2)

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	0.0	0.0	0.9575	0.9575	8	4	0	191	0	2	0
A-C	-49.4099	-5.4443	-193.786	-248.6403	114	14	1	8769	0	43	35
B-C	-12.4537	-7.7941	-58.9493	-79.1971	46	3	0	3004	0	25	25
B-D	-14.1195	-18.6025	-82.2525	-114.9746	88	2	1	4999	0	42	33

Interface residues

• A-B: ARG649A, GLN651A, GLN780B, GLN783B, ILE779B, LEU765B, LEU782B, THR648A
• A-C: ALA516A, ALA516C, ALA646A, ALA646C, ALA700A, ALA700C, ARG513A, ARG513C, ARG520A, ARG520C, ARG613A, ARG613C, ARG644A, ARG644C, ARG649A, ARG649C, ARG697C, ASN624A, ASN624C, ASN656A, ASP618A, ASP618C, ASP633A, ASP633C, ASP638A, ASP638C, ASP705A, ASP705C, ASP721A, ASP721C, CYS612A, CYS612C, CYS634A, CYS634C, GLN578A, GLN578C, GLN614A, GLN614C, GLN619A, GLN619C, GLN637A, GLN637C, GLU515A, GLU515C, GLU635A, GLU635C, GLU645A, GLU645C, GLU654A, GLU654C, GLY511A, GLY511C, GLY514A, GLY514C, GLY577A, GLY577C, GLY616A, GLY616C, GLY620A, GLY620C, GLY636A, GLY636C, GLY701A, GLY701C, GLY704A, GLY704C, ILE621A, ILE621C, ILE660A, LEU512A, LEU512C, LEU519C, LEU522A, LEU522C, LEU615A, LEU615C, LEU622A, LEU622C, LEU623A, LEU623C, LEU642A, LEU642C, LEU643A, LEU655A, LEU655C, LYS510A, LYS510C, MET521C, PHE525A, PHE525C, PRO523A, PRO523C, PRO703A, PRO703C, SER517A, SER517C, SER518A, SER518C, SER576A, SER576C, SER632A, SER632C, SER641A, SER641C, THR648A, THR648C, VAL639A, VAL639C, VAL640A, VAL640C, VAL699A, VAL699C, VAL702A, VAL702C
• B-C: ALA509C, ALA700C, ALA822B, ARG505C, ARG513C, ARG697C, ARG708C, ARG775B, ARG781B, ARG807B, ARG852C, ARG855C, ASN698C, ASN854C, ASP705C, ASP820B, ASP821B, GLN777B, GLN778B, GLN780B, GLU694C, GLU695C, GLU811B, GLU853C, GLU858C, GLU859C, GLY707C, GLY776B, GLY814B, GLY856C, ILE779B, LEU512C, LEU782B, LEU803B, LEU810B, LEU813B, LEU815B, LEU817B, LEU857C, LYS850C, PHE774B, PRO816B, SER706C, SER819B, THR784B, THR818B
• B-D: ALA516B, ALA516D, ALA646B, ALA700B, ALA700D, ARG513B, ARG513D, ARG520B, ARG520D, ARG613B, ARG613D, ARG644B, ARG644D, ARG649B, ARG649D, ASN624B, ASN624D, ASP582B, ASP618B, ASP633B, ASP633D, ASP638B, ASP638D, ASP721D, CYS612D, CYS634B, GLN578B, GLN578D, GLN579B, GLN614B, GLN614D, GLN619B, GLN619D, GLN637B, GLN637D, GLU515B, GLU515D, GLU635B, GLU635D, GLU645B, GLU645D, GLY511B, GLY511D, GLY514B, GLY514D, GLY577B, GLY577D, GLY620B, GLY636B, GLY636D, GLY701B, GLY701D, ILE621B, ILE621D, LEU512B, LEU512D, LEU522B, LEU522D, LEU615B, LEU615D, LEU622B, LEU622D, LEU623B, LEU623D, LEU642B, LEU642D, LYS510D, MET521D, PHE525D, PRO523D, PRO703B, PRO703D, SER517B, SER517D, SER518D, SER576B, SER576D, SER632B, SER632D, SER641B, SER641D, THR648B, THR648D, VAL639B, VAL640B, VAL699D, VAL702B, VAL702D