Potassium in PDB 6aft: Proton Pyrophosphatase - E301Q

All present enzymatic activity of Proton Pyrophosphatase - E301Q:
3.6.1.1;

The structure of Proton Pyrophosphatase - E301Q, PDB code: 6aft was solved by J.-Y.Tsai, K.-Z.Tang, Y.-J.Sun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.79 / 2.49
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	217.126, 88.268, 158.660, 90.00, 125.25, 90.00
R / Rfree (%)	17.6 / 20.8

The structure of Proton Pyrophosphatase - E301Q also contains other interesting chemical elements:

Magnesium

(Mg)

10 atoms

The binding sites of Potassium atom in the Proton Pyrophosphatase - E301Q (pdb code 6aft). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Proton Pyrophosphatase - E301Q, PDB code: 6aft:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Proton Pyrophosphatase - E301Q


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Proton Pyrophosphatase - E301Q within 5.0Å range: probe atom residue distance (Å) B Occ A:K1008 b:16.4 occ:1.00 O A:HOH1279 2.9 12.2 1.0 O A:HOH1236 2.9 11.1 1.0 O A:HOH1171 3.0 9.7 1.0 OD1 A:ASN534 3.0 11.2 1.0 O A:HOH1277 3.1 13.2 1.0 O3 A:PO41001 3.2 10.8 1.0 O A:HOH1229 3.2 16.1 1.0 MG A:MG1007 3.6 11.3 1.0 O A:GLY533 3.8 12.5 1.0 C A:GLY533 4.0 10.5 1.0 O A:HOH1187 4.0 13.5 1.0 CA A:ASN534 4.0 9.0 1.0 N A:ASN534 4.1 9.8 1.0 P A:PO41001 4.1 30.6 1.0 O1 A:PO41001 4.1 16.9 1.0 CG A:ASN534 4.2 11.1 1.0 CB A:ALA537 4.3 9.1 1.0 O2 A:PO41001 4.3 9.5 1.0 OD2 A:ASP287 4.4 10.2 1.0 O A:HOH1115 4.4 8.5 1.0 OD1 A:ASP530 4.5 17.0 1.0 CB A:ASN534 4.7 8.4 1.0 C A:GLY503 4.7 13.3 1.0 CA A:GLY533 4.8 9.4 1.0 O A:GLY503 4.8 12.5 1.0 O A:ASP530 4.9 12.6 1.0 N A:PRO504 4.9 13.9 1.0 OD2 A:ASP507 4.9 16.4 1.0

Potassium binding site 2 out of 2 in the Proton Pyrophosphatase - E301Q


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Proton Pyrophosphatase - E301Q within 5.0Å range: probe atom residue distance (Å) B Occ B:K1008 b:25.8 occ:1.00 O B:HOH1228 2.9 15.4 1.0 O B:HOH1240 3.0 21.7 1.0 OD1 B:ASN534 3.1 16.3 1.0 O B:HOH1189 3.1 18.3 1.0 O3 B:PO41001 3.2 15.5 1.0 O B:HOH1150 3.2 17.6 1.0 O B:HOH1208 3.3 12.7 1.0 MG B:MG1007 3.6 19.6 1.0 O B:GLY533 3.8 23.5 1.0 C B:GLY533 4.0 20.8 1.0 CA B:ASN534 4.0 16.0 1.0 N B:ASN534 4.1 16.2 1.0 P B:PO41001 4.1 36.9 1.0 O1 B:PO41001 4.2 23.4 1.0 CG B:ASN534 4.2 16.1 1.0 O4 B:PO41001 4.3 21.5 1.0 CB B:ALA537 4.4 15.5 1.0 OD2 B:ASP287 4.5 24.3 1.0 O B:HOH1140 4.5 12.7 1.0 OD1 B:ASP530 4.6 21.6 1.0 C B:GLY503 4.7 20.6 1.0 N B:PRO504 4.7 23.3 1.0 CB B:ASN534 4.7 16.2 1.0 CA B:GLY533 4.9 22.2 1.0 O B:ASP530 4.9 25.2 1.0 CA B:GLY503 4.9 17.2 1.0

J.Y.Tsai, K.Z.Tang, K.M.Li, B.L.Hsu, Y.W.Chiang, A.Goldman, Y.J.Sun. Roles of the Hydrophobic Gate and Exit Channel in Vigna Radiata Pyrophosphatase Ion Translocation. J. Mol. Biol. V. 431 1619 2019.
ISSN: ESSN 1089-8638
PubMed: 30878480
DOI: 10.1016/J.JMB.2019.03.009