Magnesium in PDB 8b23: Time-Resolved Structure of K+-Dependent Na+-Ppase From Thermotoga Maritima 600-Seconds Post Reaction Initiation with Na+

The structure of Time-Resolved Structure of K+-Dependent Na+-Ppase From Thermotoga Maritima 600-Seconds Post Reaction Initiation with Na+, PDB code: 8b23 was solved by J.Strauss, K.Vidilaseris, A.Goldman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.40 / 3.84
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	83.327, 111.552, 106.217, 90, 109.05, 90
R / Rfree (%)	33.4 / 36.3

The binding sites of Magnesium atom in the Time-Resolved Structure of K+-Dependent Na+-Ppase From Thermotoga Maritima 600-Seconds Post Reaction Initiation with Na+ (pdb code 8b23). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Time-Resolved Structure of K+-Dependent Na+-Ppase From Thermotoga Maritima 600-Seconds Post Reaction Initiation with Na+, PDB code: 8b23:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Time-Resolved Structure of K+-Dependent Na+-Ppase From Thermotoga Maritima 600-Seconds Post Reaction Initiation with Na+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Time-Resolved Structure of K+-Dependent Na+-Ppase From Thermotoga Maritima 600-Seconds Post Reaction Initiation with Na+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:266.0 occ:1.00 OD2 A:ASP202 2.2 265.3 1.0 CG A:ASP202 2.6 268.5 1.0 OD2 A:ASP228 2.6 271.8 1.0 OD1 A:ASP202 2.7 271.1 1.0 O1 A:DPO801 2.8 274.8 1.0 OE1 A:GLU217 3.1 273.2 1.0 O7 A:DPO801 3.2 274.8 1.0 O2 A:DPO801 3.3 274.8 1.0 MG A:MG803 3.3 285.5 1.0 P1 A:DPO801 3.3 274.8 1.0 CG A:ASP228 3.5 266.5 1.0 OD1 A:ASP228 3.6 251.3 1.0 O4 A:DPO801 3.6 274.8 1.0 CB A:ASP202 3.7 269.2 1.0 MG A:MG804 3.8 276.3 1.0 MG A:MG805 3.9 258.5 1.0 P2 A:DPO801 4.0 274.8 1.0 CD A:GLU217 4.3 273.9 1.0 CB A:ASP218 4.6 303.9 1.0 N A:ASP218 4.6 304.4 1.0 CA A:ASP202 4.6 273.3 1.0 OD1 A:ASP232 4.8 268.9 1.0 O3 A:DPO801 4.8 274.8 1.0 O A:HOH901 4.9 255.6 1.0 O5 A:DPO801 4.9 274.8 1.0 CA A:ASP218 4.9 310.3 1.0 CB A:GLU217 4.9 302.8 1.0 CB A:ASP228 4.9 279.9 1.0

Magnesium binding site 2 out of 4 in the Time-Resolved Structure of K+-Dependent Na+-Ppase From Thermotoga Maritima 600-Seconds Post Reaction Initiation with Na+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Time-Resolved Structure of K+-Dependent Na+-Ppase From Thermotoga Maritima 600-Seconds Post Reaction Initiation with Na+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg803 b:285.5 occ:1.00 O2 A:DPO801 2.6 274.8 1.0 CA A:ASP218 2.6 310.3 1.0 CB A:ASP218 2.9 303.9 1.0 OD1 A:ASP218 3.1 290.7 1.0 N A:ASP218 3.1 304.4 1.0 MG A:MG804 3.1 276.3 1.0 CG A:ASP218 3.2 293.4 1.0 MG A:MG802 3.3 266.0 1.0 OD2 A:ASP228 3.4 271.8 1.0 O1 A:DPO801 3.6 274.8 1.0 P1 A:DPO801 3.6 274.8 1.0 C A:ASP218 3.9 331.8 1.0 OD2 A:ASP218 4.1 288.4 1.0 OE1 A:GLU217 4.1 273.2 1.0 CG A:ASP228 4.3 266.5 1.0 C A:GLU217 4.4 327.0 1.0 O3 A:DPO801 4.5 274.8 1.0 OD1 A:ASP465 4.6 292.0 1.0 O A:ASP218 4.6 341.0 1.0 N A:ASP219 4.6 308.9 1.0 OD2 A:ASP232 4.8 287.2 1.0 OD1 A:ASP202 4.9 271.1 1.0 O4 A:DPO801 4.9 274.8 1.0 OD1 A:ASP228 5.0 251.3 1.0

Magnesium binding site 3 out of 4 in the Time-Resolved Structure of K+-Dependent Na+-Ppase From Thermotoga Maritima 600-Seconds Post Reaction Initiation with Na+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Time-Resolved Structure of K+-Dependent Na+-Ppase From Thermotoga Maritima 600-Seconds Post Reaction Initiation with Na+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg804 b:276.3 occ:1.00 OD2 A:ASP232 2.1 287.2 1.0 O2 A:DPO801 2.5 274.8 1.0 CG A:ASP232 2.7 275.8 1.0 OD2 A:ASP465 2.7 278.2 1.0 OD1 A:ASP232 2.7 268.9 1.0 OD1 A:ASP465 3.1 292.0 1.0 CG A:ASP465 3.1 289.0 1.0 MG A:MG803 3.1 285.5 1.0 MG A:MG802 3.8 266.0 1.0 P1 A:DPO801 3.8 274.8 1.0 OD1 A:ASP228 4.0 251.3 1.0 OD2 A:ASP228 4.0 271.8 1.0 O4 A:DPO801 4.1 274.8 1.0 CB A:ASP232 4.1 266.5 1.0 CG A:ASP228 4.1 266.5 1.0 ND2 A:ASN229 4.4 275.5 1.0 CB A:ASP465 4.4 282.1 1.0 O A:ASP228 4.5 256.9 1.0 O7 A:DPO801 4.6 274.8 1.0 O1 A:DPO801 4.6 274.8 1.0 O3 A:DPO801 4.8 274.8 1.0 P2 A:DPO801 4.9 274.8 1.0 C A:ASP228 4.9 272.5 1.0 O A:HOH901 4.9 255.6 1.0 O A:ASP465 4.9 317.8 1.0

Magnesium binding site 4 out of 4 in the Time-Resolved Structure of K+-Dependent Na+-Ppase From Thermotoga Maritima 600-Seconds Post Reaction Initiation with Na+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Time-Resolved Structure of K+-Dependent Na+-Ppase From Thermotoga Maritima 600-Seconds Post Reaction Initiation with Na+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg805 b:258.5 occ:1.00 O7 A:DPO801 2.2 274.8 1.0 NZ A:LYS199 2.5 243.7 1.0 OD2 A:ASP202 2.6 265.3 1.0 CG A:ASP692 2.7 270.3 1.0 O5 A:DPO801 2.8 274.8 1.0 CB A:ASP692 2.9 253.0 1.0 OD2 A:ASP692 3.0 274.4 1.0 P2 A:DPO801 3.0 274.8 1.0 OD1 A:ASP692 3.0 276.5 1.0 OD2 A:ASP696 3.7 267.9 1.0 NZ A:LYS695 3.8 267.0 1.0 CE A:LYS199 3.8 244.6 1.0 CG A:ASP202 3.8 268.5 1.0 O A:HOH901 3.9 255.6 1.0 MG A:MG802 3.9 266.0 1.0 CA A:ASP692 4.0 255.8 1.0 O4 A:DPO801 4.1 274.8 1.0 O6 A:DPO801 4.1 274.8 1.0 CE A:LYS695 4.4 260.9 1.0 CD A:LYS199 4.4 245.1 1.0 CB A:ASP202 4.5 269.2 1.0 O1 A:DPO801 4.7 274.8 1.0 C A:ASP692 4.7 252.4 1.0 OD1 A:ASP202 4.8 271.1 1.0 CG A:ASP696 4.9 254.8 1.0 O A:ASP692 4.9 257.9 1.0

J.Strauss, K.Vidilaseris, A.Goldman. The Structure of Tmppase After 600 Second Soaking with Sodium Ion To Be Published.