Fluorine in PDB 4xe5: Crystal Structure of the Na,K-Atpase From Bovine

All present enzymatic activity of Crystal Structure of the Na,K-Atpase From Bovine:
3.6.3.9;

The structure of Crystal Structure of the Na,K-Atpase From Bovine, PDB code: 4xe5 was solved by J.L.Gregersen, D.Mattle, N.U.Fedosova, P.Nissen, L.Reinhard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.74 / 3.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	64.750, 301.070, 242.290, 90.00, 90.00, 90.00
R / Rfree (%)	32.2 / 33.6

The structure of Crystal Structure of the Na,K-Atpase From Bovine also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Fluorine atom in the Crystal Structure of the Na,K-Atpase From Bovine (pdb code 4xe5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Na,K-Atpase From Bovine, PDB code: 4xe5:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the Na,K-Atpase From Bovine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Na,K-Atpase From Bovine within 5.0Å range: probe atom residue distance (Å) B Occ A:F374 b:0.0 occ:1.00 F1 A:BFD374 0.0 0.0 1.0 BE A:BFD374 1.5 0.2 1.0 OD1 A:BFD374 2.4 1.0 1.0 F2 A:BFD374 2.5 0.8 1.0 F3 A:BFD374 2.5 0.5 1.0 N A:GLY616 3.0 0.1 1.0 OG1 A:THR615 3.2 0.4 1.0 ND2 A:ASN718 3.4 0.9 1.0 NZ A:LYS696 3.4 0.0 1.0 CA A:GLY218 3.5 0.6 1.0 O A:HOH1203 3.5 91.6 1.0 CA A:THR615 3.5 0.8 1.0 CG A:BFD374 3.7 0.7 1.0 C A:THR615 3.7 0.5 1.0 CB A:THR615 3.8 0.1 1.0 O A:GLY218 3.9 0.5 1.0 CA A:GLY616 3.9 0.6 1.0 MG A:MG1101 4.1 89.7 1.0 C A:GLY218 4.1 0.2 1.0 CE A:LYS696 4.2 0.3 1.0 N A:ASP617 4.3 0.3 1.0 OD2 A:BFD374 4.4 0.2 1.0 OG1 A:THR376 4.4 0.7 1.0 C A:GLY616 4.5 0.4 1.0 O A:THR217 4.5 0.9 1.0 N A:GLY218 4.5 0.8 1.0 O A:VAL614 4.6 0.6 1.0 CG A:ASN718 4.7 0.6 1.0 CB A:BFD374 4.7 0.1 1.0 N A:THR615 4.8 0.8 1.0 N A:LYS375 4.9 0.0 1.0 C A:THR217 4.9 0.5 1.0 O A:THR615 4.9 0.6 1.0 O A:HOH1204 4.9 91.6 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the Na,K-Atpase From Bovine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Na,K-Atpase From Bovine within 5.0Å range: probe atom residue distance (Å) B Occ A:F374 b:0.8 occ:1.00 F2 A:BFD374 0.0 0.8 1.0 BE A:BFD374 1.5 0.2 1.0 MG A:MG1101 2.1 89.7 1.0 OG1 A:THR376 2.3 0.7 1.0 F3 A:BFD374 2.4 0.5 1.0 F1 A:BFD374 2.5 0.0 1.0 OD1 A:BFD374 2.5 1.0 1.0 O A:HOH1203 2.8 91.6 1.0 O A:HOH1204 2.9 91.6 1.0 OD2 A:BFD374 3.1 0.2 1.0 O A:THR376 3.1 0.9 1.0 CG A:BFD374 3.1 0.7 1.0 N A:THR376 3.5 0.8 1.0 CA A:GLY218 3.5 0.6 1.0 CB A:THR376 3.6 0.9 1.0 O A:GLY218 3.6 0.5 1.0 CA A:THR376 3.8 0.6 1.0 C A:THR376 3.9 0.5 1.0 C A:GLY218 4.0 0.2 1.0 OD1 A:ASP715 4.1 0.2 1.0 ND2 A:ASN718 4.2 0.9 1.0 O A:SER214 4.4 0.8 1.0 N A:LYS375 4.4 0.0 1.0 CG2 A:THR376 4.4 0.1 1.0 C A:LYS375 4.5 0.1 1.0 OG1 A:THR615 4.5 0.4 1.0 CB A:BFD374 4.6 0.1 1.0 N A:GLY218 4.8 0.8 1.0 CG A:ASP715 4.9 0.1 1.0 OD2 A:ASP715 4.9 0.8 1.0 CA A:LYS375 4.9 0.5 1.0 NZ A:LYS696 4.9 0.0 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the Na,K-Atpase From Bovine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Na,K-Atpase From Bovine within 5.0Å range: probe atom residue distance (Å) B Occ A:F374 b:0.5 occ:1.00 F3 A:BFD374 0.0 0.5 1.0 BE A:BFD374 1.5 0.2 1.0 F2 A:BFD374 2.4 0.8 1.0 OD1 A:BFD374 2.5 1.0 1.0 F1 A:BFD374 2.5 0.0 1.0 OG1 A:THR615 2.5 0.4 1.0 N A:LYS375 2.9 0.0 1.0 N A:THR376 3.0 0.8 1.0 CB A:THR615 3.1 0.1 1.0 CB A:LYS375 3.1 0.5 1.0 CG A:BFD374 3.3 0.7 1.0 CA A:LYS375 3.3 0.5 1.0 OG1 A:THR376 3.5 0.7 1.0 C A:LYS375 3.6 0.1 1.0 CA A:THR615 3.8 0.8 1.0 OD2 A:BFD374 3.8 0.2 1.0 C A:BFD374 4.0 98.2 1.0 MG A:MG1101 4.0 89.7 1.0 CA A:THR376 4.1 0.6 1.0 CB A:THR376 4.2 0.9 1.0 O A:GLY218 4.2 0.5 1.0 N A:GLY616 4.3 0.1 1.0 CG2 A:THR376 4.3 0.1 1.0 CG A:LYS375 4.4 0.5 1.0 CA A:BFD374 4.4 99.2 1.0 CB A:BFD374 4.4 0.1 1.0 CG2 A:THR615 4.4 0.8 1.0 O A:THR376 4.5 0.9 1.0 C A:THR615 4.6 0.5 1.0 O A:HOH1203 4.6 91.6 1.0 O A:VAL614 4.6 0.6 1.0 CE A:LYS375 4.7 0.2 1.0 CB A:ASP617 4.7 0.8 1.0 C A:THR376 4.8 0.5 1.0 O A:LYS375 4.8 0.9 1.0 N A:ASP617 4.8 0.3 1.0 CD A:LYS375 4.8 0.2 1.0 NZ A:LYS696 4.8 0.0 1.0 N A:THR615 4.9 0.8 1.0 OD2 A:ASP617 4.9 1.0 1.0 CA A:GLY218 5.0 0.6 1.0

J.L.Gregersen, D.Mattle, N.U.Fedosova, P.Nissen, L.Reinhard. Isolation, Crystallization and Crystal Structure Determination of Bovine Kidney Na(+),K(+)-Atpase. Acta Crystallogr.,Sect.F V. 72 282 2016.
ISSN: ESSN 2053-230X
PubMed: 27050261
DOI: 10.1107/S2053230X1600279X