Fluorine in PDB 5aw9: Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals

The structure of Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals, PDB code: 5aw9 was solved by H.Ogawa, F.Cornelius, A.Hirata, C.Toyoshima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	219.972, 50.666, 163.066, 90.00, 104.50, 90.00
R / Rfree (%)	21.7 / 26.5

The structure of Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Potassium	(K)	3 atoms

The binding sites of Fluorine atom in the Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals (pdb code 5aw9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals, PDB code: 5aw9:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:49.2 occ:1.00 F1 A:MF42001 0.0 49.2 1.0 MG A:MF42001 2.0 48.6 1.0 OD1 A:ASP376 2.4 48.5 1.0 NZ A:LYS698 2.7 49.8 1.0 ND2 A:ASN720 2.8 60.1 1.0 N A:GLY618 3.1 44.1 1.0 F2 A:MF42001 3.2 50.1 1.0 F4 A:MF42001 3.2 48.5 1.0 F3 A:MF42001 3.3 55.4 1.0 O A:THR219 3.5 53.3 1.0 CE A:LYS698 3.5 52.7 1.0 CG A:ASP376 3.6 51.1 1.0 CA A:THR617 3.8 46.3 1.0 O A:HOH2128 3.9 39.8 1.0 C A:THR617 3.9 48.3 1.0 CG A:ASN720 3.9 58.7 1.0 OG1 A:THR617 4.0 50.5 1.0 CA A:GLY618 4.0 43.6 1.0 OD1 A:ASN720 4.2 56.5 1.0 C A:THR219 4.3 54.1 1.0 OD1 A:ASP721 4.3 59.5 1.0 OD2 A:ASP376 4.3 53.5 1.0 CA A:GLY220 4.4 51.0 1.0 O A:VAL616 4.4 55.1 1.0 CB A:THR617 4.4 46.8 1.0 CB A:ASP376 4.6 48.0 1.0 MG A:MG2002 4.6 53.1 1.0 N A:GLY220 4.7 53.5 1.0 N A:THR617 4.9 49.5 1.0 CD A:LYS698 4.9 51.2 1.0 C A:GLY618 4.9 46.8 1.0 N A:ASP619 4.9 46.0 1.0

Fluorine binding site 2 out of 4 in the Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:50.1 occ:1.00 F2 A:MF42001 0.0 50.1 1.0 MG A:MG2002 2.0 53.1 1.0 MG A:MF42001 2.0 48.6 1.0 O A:HOH2131 2.6 52.9 1.0 OD1 A:ASP376 2.7 48.5 1.0 O A:HOH2128 2.7 39.8 1.0 OD2 A:ASP376 2.8 53.5 1.0 O A:THR378 2.9 50.5 1.0 F4 A:MF42001 3.1 48.5 1.0 CG A:ASP376 3.1 51.1 1.0 F1 A:MF42001 3.2 49.2 1.0 O A:GLY220 3.3 53.3 1.0 CB A:THR378 3.3 53.4 1.0 F3 A:MF42001 3.3 55.4 1.0 CA A:GLY220 3.5 51.0 1.0 N A:THR378 3.7 47.1 1.0 C A:THR378 3.7 48.4 1.0 CA A:THR378 3.7 48.6 1.0 C A:GLY220 3.7 50.5 1.0 OD1 A:ASP717 3.9 53.2 1.0 CG2 A:THR378 4.1 53.0 1.0 OG1 A:THR378 4.3 54.8 1.0 O A:THR219 4.5 53.3 1.0 OE1 A:GLU221 4.6 59.4 1.0 CB A:ASP376 4.7 48.0 1.0 C A:LYS377 4.7 47.1 1.0 ND2 A:ASN720 4.7 60.1 1.0 OD1 A:ASN720 4.7 56.5 1.0 N A:GLY220 4.7 53.5 1.0 N A:LYS377 4.8 46.3 1.0 CG A:ASP717 4.9 54.4 1.0 N A:GLU221 4.9 49.6 1.0 N A:GLY379 5.0 48.8 1.0

Fluorine binding site 3 out of 4 in the Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:55.4 occ:1.00 F3 A:MF42001 0.0 55.4 1.0 MG A:MF42001 2.0 48.6 1.0 OE1 A:GLU221 2.4 59.4 1.0 O A:THR219 2.8 53.3 1.0 CD A:GLU221 3.2 59.5 1.0 F4 A:MF42001 3.2 48.5 1.0 OG1 A:THR617 3.3 50.5 1.0 CG A:GLU221 3.3 58.1 1.0 N A:ASP619 3.3 46.0 1.0 F1 A:MF42001 3.3 49.2 1.0 F2 A:MF42001 3.3 50.1 1.0 N A:GLY618 3.7 44.1 1.0 CB A:ASP619 3.7 50.0 1.0 C A:GLY220 3.8 50.5 1.0 C A:GLY618 3.8 46.8 1.0 OG1 A:THR378 3.8 54.8 1.0 C A:THR219 3.9 54.1 1.0 O A:GLY220 3.9 53.3 1.0 CA A:ASP619 3.9 49.2 1.0 CA A:GLY220 4.0 51.0 1.0 CA A:GLY618 4.0 43.6 1.0 CB A:THR378 4.0 53.4 1.0 N A:GLU221 4.1 49.6 1.0 N A:GLY220 4.4 53.5 1.0 OE2 A:GLU221 4.4 61.1 1.0 OD1 A:ASP376 4.4 48.5 1.0 CG A:ASP619 4.5 55.2 1.0 CB A:GLU221 4.5 55.5 1.0 CB A:THR617 4.6 46.8 1.0 O A:GLY618 4.6 50.0 1.0 C A:THR617 4.7 48.3 1.0 CA A:GLU221 4.7 52.9 1.0 N A:THR378 4.8 47.1 1.0 CA A:THR617 4.9 46.3 1.0 CG2 A:THR378 4.9 53.0 1.0 OD2 A:ASP619 5.0 59.9 1.0

Fluorine binding site 4 out of 4 in the Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:48.5 occ:1.00 F4 A:MF42001 0.0 48.5 1.0 MG A:MF42001 2.0 48.6 1.0 OD1 A:ASP376 2.5 48.5 1.0 OG1 A:THR617 2.6 50.5 1.0 N A:LYS377 2.6 46.3 1.0 N A:THR378 2.8 47.1 1.0 F2 A:MF42001 3.1 50.1 1.0 CB A:LYS377 3.1 43.0 1.0 CA A:LYS377 3.2 44.1 1.0 CB A:THR617 3.2 46.8 1.0 CG A:ASP376 3.2 51.1 1.0 F1 A:MF42001 3.2 49.2 1.0 F3 A:MF42001 3.2 55.4 1.0 C A:LYS377 3.4 47.1 1.0 OD2 A:ASP376 3.7 53.5 1.0 C A:ASP376 3.7 48.2 1.0 CA A:THR617 3.8 46.3 1.0 CA A:THR378 3.9 48.6 1.0 CB A:THR378 3.9 53.4 1.0 OG1 A:THR378 4.0 54.8 1.0 CA A:ASP376 4.1 46.0 1.0 CG A:LYS377 4.2 42.7 1.0 CB A:ASP376 4.2 48.0 1.0 N A:GLY618 4.4 44.1 1.0 CG2 A:THR617 4.5 44.5 1.0 CE A:LYS377 4.5 51.5 1.0 OE1 A:GLU221 4.5 59.4 1.0 O A:THR378 4.6 50.5 1.0 MG A:MG2002 4.6 53.1 1.0 O A:LYS377 4.6 48.7 1.0 O A:VAL616 4.6 55.1 1.0 C A:THR617 4.7 48.3 1.0 C A:THR378 4.7 48.4 1.0 NZ A:LYS698 4.7 49.8 1.0 O A:ASP376 4.8 50.7 1.0 CD A:LYS377 4.8 48.5 1.0 N A:THR617 4.9 49.5 1.0

H.Ogawa, F.Cornelius, A.Hirata, C.Toyoshima. Sequential Substitution of K(+) Bound to Na(+),K(+)-Atpase Visualized By X-Ray Crystallography. Nat Commun V. 6 8004 2015.
ISSN: ESSN 2041-1723
PubMed: 26258479
DOI: 10.1038/NCOMMS9004