3A3Y

crystal structure of the sodium-potassium pump with bound potassium and ouabain

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-G
  • Int. Res.: 42
  • Norm. En. per Res.: -4.8562
• 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	-64.1797	-96.4276	-491.229	-651.8364	177	34	11	20294	9	57	43
A-G	-2.7267	-23.4617	-214.852	-241.0404	78	5	16	8734	2	3	6
B-G	-17.2605	-58.3162	-128.383	-203.9597	42	8	1	4527	5	14	14

Interface residues

• A-B: ALA48B, ALA74B, ALA81B, ALA84B, ALA862A, ALA874A, ARG1005A, ARG183B, ARG251B, ARG28B, ARG292B, ARG294B, ARG296B, ARG72B, ARG889A, ARG893A, ARG911A, ARG979A, ASN182B, ASN876A, ASP123A, ASP286B, ASP291B, ASP64B, ASP71B, ASP882A, ASP892A, ASP897A, ASP900A, ASP975A, CYS46B, CYS990A, GLN1019A, GLN253B, GLN258B, GLN56B, GLN70B, GLN856A, GLN861A, GLN904A, GLN905A, GLN910A, GLU1020A, GLU122A, GLU124A, GLU289B, GLU66B, GLU847A, GLU875A, GLU88B, GLU899A, GLU909A, GLU915A, GLY186B, GLY249B, GLY295B, GLY49B, GLY53B, GLY77B, GLY855A, GLY864A, GLY865A, GLY877A, GLY903A, HIS80B, ILE184B, ILE185B, ILE36B, ILE50B, ILE52B, ILE55B, ILE784A, ILE857A, ILE85B, ILE860A, ILE872A, ILE895A, ILE913A, ILE997A, ILE998A, LEU109B, LEU140B, LEU181B, LEU252B, LEU47B, LEU58B, LEU59B, LEU62B, LEU78B, LEU863A, LEU873A, LEU879A, LEU983A, LYS104B, LYS108B, LYS180B, LYS250B, LYS254B, LYS290B, LYS35B, LYS68B, LYS86B, LYS912A, LYS984A, MET1004A, MET852A, MET859A, MET881A, PHE187B, PHE293B, PHE297B, PHE34B, PHE37B, PHE39B, PHE43B, PHE51B, PHE65B, PHE866A, PHE867A, PHE870A, PHE878A, PHE902A, PHE916A, PRO125A, PRO67B, PRO75B, PRO76B, PRO82B, PRO880A, PRO982A, PRO985A, PRO993A, SER288B, SER32B, SER63B, SER79B, SER851A, SER868A, SER896A, SER901A, SER986A, THR1021A, THR121A, THR29B, THR54B, THR61B, THR87B, THR907A, THR917A, TRP1016A, TRP33B, TRP894A, TRP906A, TRP987A, TYR1001A, TYR245B, TYR247B, TYR248B, TYR256B, TYR40B, TYR44B, TYR69B, TYR83B, TYR854A, TYR869A, TYR908A, TYR981A, TYR994A, VAL1017A, VAL57B, VAL73B, VAL792A, VAL871A, VAL888A, VAL898A, VAL914A, VAL976A
• A-G: ALA27G, ALA28G, ALA40G, ALA963A, ALA965A, ALA966A, ARG11G, ARG18G, ARG20G, ARG353A, ASN876A, ASN951A, ASP15G, ASP975A, CYS31G, CYS971A, GLN904A, GLU960A, GLU961A, GLY23G, GLY34G, GLY41G, GLY957A, GLY973A, ILE25G, ILE33G, ILE35G, ILE36G, ILE37G, ILE913A, ILE953A, ILE955A, LEU19G, LEU24G, LEU30G, LEU38G, LEU39G, LEU954A, LEU958A, LEU964A, LEU968A, LEU983A, LYS42G, LYS950A, LYS952A, LYS984A, MET980A, PHE12G, PHE956A, PHE959A, PHE967A, PRO972A, PRO982A, PRO985A, SER821A, SER969A, SER986A, THR13G, THR917A, THR962A, THR974A, TRP931A, TRP987A, TRP988A, TYR14G, TYR16G, TYR17G, TYR824A, TYR970A, TYR981A, VAL21G, VAL22G, VAL26G, VAL29G, VAL32G, VAL817A, VAL914A, VAL976A
• B-G: ALA74B, ARG11G, ARG20G, ARG72B, ASN284B, ASN8G, ASP133B, ASP15G, ASP71B, ASP7G, ASP9G, GLN70B, GLU10G, GLU283B, GLU66B, GLY186B, GLY5G, ILE184B, ILE185B, LEU140B, LEU19G, LYS136B, LYS190B, LYS68B, PHE12G, PHE187B, PHE65B, PRO189B, PRO246B, PRO67B, PRO6G, PRO75B, PRO76B, THR13G, TYR134B, TYR14G, TYR16G, TYR188B, TYR247B, TYR248B, TYR69B, VAL73B