3KDP

crystal structure of the sodium-potassium pump

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 5
  • Norm. En. per Res.: -4.5841
• 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	-50.3594	-73.8156	-498.032	-622.2069	177	40	8	20441	4	51	36
A-G	0.0	0.6806	-143.901	-143.2203	68	1	12	6826	0	1	10
A-C	-20.5382	7.1564	-61.8204	-75.2022	32	13	0	2521	1	18	14
B-G	-11.4962	0.0	-5.2879	-16.7841	5	3	0	220	0	1	1
C-D	-69.4965	-65.0177	-487.507	-622.0211	177	48	9	20418	3	50	37
C-H	0.0	0.6965	-152.224	-151.5275	70	5	12	7121	0	1	9
D-H	-18.3136	0.0	-4.6067	-22.9203	5	7	0	255	0	1	1

Interface residues

• A-B: ALA113A, ALA47B, ALA73B, ALA855A, ALA867A, ARG107B, ARG182B, ARG290B, ARG294B, ARG71B, ARG886A, ARG904A, ARG972A, ARG998A, ASN181B, ASN869A, ASN882A, ASN889A, ASP289B, ASP296B, ASP70B, ASP885A, ASP890A, ASP893A, CYS45B, CYS983A, GLN251B, GLN256B, GLN292B, GLN55B, GLN69B, GLN79B, GLN82B, GLN841A, GLN849A, GLN84B, GLN854A, GLN897A, GLN898A, GLN903A, GLU1013A, GLU115A, GLU116A, GLU117A, GLU287B, GLU63B, GLU840A, GLU868A, GLU87B, GLU892A, GLU902A, GLU908A, GLY185B, GLY247B, GLY293B, GLY44B, GLY48B, GLY52B, GLY76B, GLY848A, GLY851A, GLY857A, GLY858A, GLY870A, GLY896A, GLY968A, HIS875A, ILE35B, ILE49B, ILE51B, ILE54B, ILE61B, ILE777A, ILE80B, ILE843A, ILE850A, ILE853A, ILE865A, ILE874A, ILE888A, ILE906A, ILE991A, LEU180B, LEU184B, LEU249B, LEU250B, LEU36B, LEU37B, LEU46B, LEU58B, LEU77B, LEU856A, LEU866A, LEU872A, LEU976A, LEU990A, LYS1012A, LYS111B, LYS179B, LYS248B, LYS288B, LYS298B, LYS34B, LYS65B, LYS85B, LYS905A, LYS977A, MET57B, MET845A, MET852A, PHE108B, PHE291B, PHE295B, PHE33B, PHE38B, PHE42B, PHE50B, PHE64B, PHE859A, PHE860A, PHE863A, PHE871A, PHE909A, PRO252B, PRO66B, PRO74B, PRO75B, PRO81B, PRO873A, PRO975A, PRO978A, PRO986A, SER286B, SER31B, SER62B, SER83B, SER844A, SER894A, THR1014A, THR114A, THR28B, THR53B, THR60B, THR67B, THR781A, THR78B, THR861A, THR86B, THR900A, THR910A, THR979A, TRP1009A, TRP32B, TRP887A, TRP899A, TRP980A, TYR245B, TYR246B, TYR254B, TYR39B, TYR43B, TYR68B, TYR847A, TYR862A, TYR895A, TYR901A, TYR974A, TYR987A, TYR994A, VAL1010A, VAL183B, VAL56B, VAL72B, VAL864A, VAL891A, VAL907A, VAL969A
• A-G: ALA34G, ALA35G, ALA37G, ALA956A, ALA958A, ALA959A, ARG27G, ARG346A, ARG49G, ASN28G, ASN869A, ASN944A, CYS964A, GLU953A, GLU954A, GLY29G, GLY30G, GLY41G, GLY950A, GLY966A, GLY968A, ILE32G, ILE39G, ILE43G, ILE44G, ILE906A, ILE946A, ILE948A, LEU31G, LEU36G, LEU42G, LEU45G, LEU46G, LEU947A, LEU951A, LEU957A, LEU961A, LEU976A, LYS48G, LYS943A, LYS945A, LYS977A, MET942A, MET967A, PHE33G, PHE38G, PHE949A, PHE952A, PHE960A, PRO965A, PRO975A, PRO978A, SER47G, SER962A, THR25G, THR910A, THR955A, TRP980A, TRP981A, TYR23G, TYR817A, TYR963A, TYR974A, VAL26G, VAL40G, VAL810A, VAL907A, VAL969A
• A-C: ALA162A, ARG166A, ARG166C, ARG248C, ARG54C, ASN167A, ASN167C, ASN174A, ASP190A, GLN161A, GLU169A, GLU169C, GLU185A, GLU185C, GLY168A, GLY168C, ILE165A, ILE165C, ILE173A, ILE173C, LEU163A, LEU163C, LYS170A, LYS170C, LYS187A, MET171A, MET171C, SER172A, SER172C, THR246C, VAL164A, VAL164C
• B-G: ARG71B, ASP70B, TYR23G, TYR68B, VAL26G
• C-D: ALA113C, ALA47D, ALA73D, ALA855C, ALA867C, ARG107D, ARG182D, ARG290D, ARG294D, ARG71D, ARG886C, ARG904C, ARG972C, ARG998C, ASN181D, ASN869C, ASN882C, ASN889C, ASP289D, ASP296D, ASP70D, ASP885C, ASP890C, ASP893C, CYS45D, GLN251D, GLN256D, GLN292D, GLN55D, GLN69D, GLN79D, GLN82D, GLN841C, GLN849C, GLN84D, GLN854C, GLN897C, GLN898C, GLN903C, GLU1013C, GLU115C, GLU116C, GLU117C, GLU287D, GLU63D, GLU840C, GLU868C, GLU87D, GLU892C, GLU902C, GLU908C, GLY185D, GLY247D, GLY293D, GLY44D, GLY48D, GLY52D, GLY76D, GLY848C, GLY851C, GLY857C, GLY858C, GLY870C, GLY896C, GLY968C, HIS875C, ILE35D, ILE49D, ILE51D, ILE54D, ILE61D, ILE777C, ILE80D, ILE843C, ILE850C, ILE853C, ILE865C, ILE874C, ILE888C, ILE906C, ILE991C, LEU180D, LEU184D, LEU249D, LEU250D, LEU36D, LEU37D, LEU46D, LEU58D, LEU59D, LEU77D, LEU856C, LEU866C, LEU872C, LEU976C, LEU990C, LYS1012C, LYS111D, LYS179D, LYS248D, LYS288D, LYS298D, LYS34D, LYS65D, LYS85D, LYS905C, LYS977C, MET57D, MET845C, MET852C, PHE108D, PHE291D, PHE295D, PHE33D, PHE38D, PHE42D, PHE50D, PHE64D, PHE859C, PHE860C, PHE863C, PHE871C, PHE909C, PRO252D, PRO66D, PRO74D, PRO75D, PRO81D, PRO873C, PRO975C, PRO978C, PRO986C, SER286D, SER31D, SER62D, SER83D, SER844C, SER894C, THR1014C, THR114C, THR28D, THR53D, THR60D, THR67D, THR781C, THR78D, THR861C, THR86D, THR900C, THR910C, THR979C, TRP1009C, TRP32D, TRP887C, TRP899C, TRP980C, TYR245D, TYR246D, TYR254D, TYR39D, TYR43D, TYR68D, TYR847C, TYR862C, TYR895C, TYR901C, TYR974C, TYR987C, TYR994C, VAL1010C, VAL183D, VAL56D, VAL72D, VAL864C, VAL891C, VAL907C, VAL969C
• C-H: ALA34H, ALA35H, ALA37H, ALA956C, ALA958C, ALA959C, ARG27H, ARG346C, ARG49H, ASN28H, ASN869C, ASN944C, CYS964C, GLU24H, GLU953C, GLU954C, GLY29H, GLY30H, GLY41H, GLY950C, GLY966C, GLY968C, ILE32H, ILE39H, ILE43H, ILE44H, ILE865C, ILE906C, ILE946C, ILE948C, LEU31H, LEU36H, LEU42H, LEU45H, LEU46H, LEU947C, LEU951C, LEU957C, LEU961C, LEU976C, LYS48H, LYS945C, LYS977C, MET942C, MET967C, MET973C, PHE33H, PHE38H, PHE949C, PHE952C, PHE960C, PRO965C, PRO975C, PRO978C, SER47H, SER962C, THR25H, THR910C, THR955C, TRP980C, TRP981C, TYR23H, TYR817C, TYR963C, TYR974C, VAL26H, VAL40H, VAL810C, VAL907C, VAL969C
• D-H: ARG71D, ASP70D, TYR23H, TYR68D, VAL26H