3B8E

crystal structure of the sodium-potassium pump

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 32
  • Norm. En. per Res.: -2.8152
• 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	-20.5913	8.9874	-240.348	-251.9519	107	46	10	10787	3	13	12
A-G	0.0	11.6905	-120.504	-108.8135	62	18	17	6466	0	3	8
A-C	-22.605	-1.1569	-66.3254	-90.0873	32	14	0	2683	1	17	14
B-G	0.0	0.0	-0.1621	-0.1621	2	0	0	32	0	0	0
C-D	-17.4279	18.3634	-211.187	-210.2515	104	38	10	10570	3	11	12
C-H	0.0	10.3008	-134.352	-124.0512	69	18	15	7383	0	3	10
D-H	0.0	0.0	-0.2268	-0.2268	4	0	0	49	0	1	1

Interface residues

• A-B: ALA47B, ALA73B, ALA846A, ALA855A, ALA867A, ARG71B, ARG886A, ARG998A, ASN869A, ASN889A, ASP70B, ASP890A, ASP893A, ASP995A, CYS45B, CYS983A, GLN55B, GLN69B, GLN849A, GLN854A, GLN897A, GLN898A, GLU1011A, GLU1013A, GLU840A, GLU868A, GLU892A, GLU902A, GLY48B, GLY52B, GLY848A, GLY851A, GLY857A, GLY858A, GLY870A, GLY896A, HIS875A, ILE35B, ILE49B, ILE51B, ILE54B, ILE61B, ILE777A, ILE785A, ILE791A, ILE843A, ILE850A, ILE853A, ILE865A, ILE874A, ILE906A, ILE991A, LEU36B, LEU37B, LEU46B, LEU58B, LEU59B, LEU856A, LEU866A, LEU872A, LEU976A, LEU990A, LYS34B, LYS65B, LYS905A, MET57B, MET845A, MET852A, PHE38B, PHE42B, PHE50B, PHE64B, PHE859A, PHE860A, PHE863A, PHE871A, PRO66B, PRO873A, PRO986A, SER31B, SER62B, SER844A, SER894A, THR1014A, THR28B, THR53B, THR60B, THR67B, THR781A, THR861A, TRP1009A, TRP899A, TRP980A, TYR39B, TYR43B, TYR68B, TYR847A, TYR862A, TYR895A, TYR901A, TYR987A, TYR994A, VAL1010A, VAL56B, VAL72B, VAL864A, VAL891A
• A-G: ALA34G, ALA35G, ALA37G, ALA956A, ALA958A, ALA959A, ARG27G, ARG346A, ARG49G, ARG51G, ASN28G, ASN869A, ASN944A, CYS964A, GLU953A, GLU954A, GLY29G, GLY30G, GLY41G, GLY950A, ILE39G, ILE43G, ILE44G, ILE45G, ILE946A, ILE948A, LEU31G, LEU36G, LEU42G, LEU46G, LEU947A, LEU951A, LEU957A, LEU961A, LEU976A, LYS48G, LYS943A, LYS945A, LYS977A, MET973A, PHE33G, PHE38G, PHE909A, PHE949A, PHE952A, PHE960A, PRO965A, PRO975A, PRO978A, SER47G, SER962A, THR25G, THR910A, THR955A, TRP980A, TRP981A, TYR23G, TYR817A, TYR963A, TYR974A, VAL26G, VAL40G
• A-C: ALA162A, ARG166A, ARG166C, ARG248C, ARG54C, ASN167A, ASN167C, ASN174A, GLN161A, GLN161C, GLU169A, GLU169C, GLU185A, GLU185C, GLY168A, GLY168C, ILE165A, ILE165C, ILE173A, ILE173C, LEU163A, LEU163C, LYS170A, LYS170C, LYS187A, MET171A, MET171C, PRO58A, SER172A, SER172C, VAL164A, VAL164C
• B-G: GLN69B, TYR23G
• C-D: ALA47D, ALA73D, ALA846C, ALA855C, ALA867C, ALA984C, ARG71D, ARG886C, ARG998C, ASN869C, ASN889C, ASP70D, ASP890C, ASP893C, CYS45D, CYS983C, GLN55D, GLN69D, GLN841C, GLN849C, GLN854C, GLN897C, GLN898C, GLU1011C, GLU1013C, GLU840C, GLU868C, GLU892C, GLU902C, GLY48D, GLY52D, GLY848C, GLY851C, GLY857C, GLY858C, GLY870C, GLY896C, HIS875C, ILE35D, ILE49D, ILE51D, ILE54D, ILE61D, ILE777C, ILE843C, ILE850C, ILE853C, ILE874C, ILE906C, ILE991C, LEU36D, LEU37D, LEU46D, LEU58D, LEU856C, LEU866C, LEU872C, LEU976C, LEU990C, LYS34D, LYS65D, LYS905C, MET57D, MET845C, MET852C, PHE38D, PHE42D, PHE50D, PHE64D, PHE859C, PHE860C, PHE863C, PHE871C, PRO66D, PRO873C, PRO986C, SER31D, SER62D, SER844C, SER894C, THR1014C, THR28D, THR53D, THR60D, THR67D, THR781C, THR861C, THR979C, TRP1009C, TRP899C, TRP980C, TYR39D, TYR43D, TYR68D, TYR847C, TYR862C, TYR895C, TYR987C, TYR994C, VAL1010C, VAL56D, VAL72D, VAL864C, VAL891C
• C-H: ALA34H, ALA35H, ALA37H, ALA956C, ALA958C, ALA959C, ARG27H, ARG346C, ARG49H, ARG51H, ASN28H, ASN869C, ASN944C, CYS964C, GLU24H, GLU902C, GLU953C, GLU954C, GLY29H, GLY30H, GLY41H, GLY950C, GLY966C, ILE32H, ILE39H, ILE43H, ILE44H, ILE45H, ILE906C, ILE946C, ILE948C, LEU31H, LEU36H, LEU42H, LEU951C, LEU957C, LEU961C, LEU976C, LYS342C, LYS48H, LYS905C, LYS943C, LYS945C, LYS977C, MET973C, PHE33H, PHE38H, PHE909C, PHE949C, PHE952C, PHE960C, PRO965C, PRO975C, PRO978C, SER47H, SER962C, THR25H, THR910C, THR955C, THR979C, TRP980C, TRP981C, TYR23H, TYR817C, TYR963C, TYR974C, VAL26H, VAL40H, VAL810C
• D-H: ASP70D, GLN69D, TYR23H, TYR68D