Aluminium in PDB 3wgu: Crystal Structure of A Na+-Bound Na+,K+-Atpase Preceding the E1P State Without Oligomycin

All present enzymatic activity of Crystal Structure of A Na+-Bound Na+,K+-Atpase Preceding the E1P State Without Oligomycin:
3.6.3.9;

The structure of Crystal Structure of A Na+-Bound Na+,K+-Atpase Preceding the E1P State Without Oligomycin, PDB code: 3wgu was solved by R.Kanai, H.Ogawa, B.Vilsen, F.Cornelius, C.Toyoshima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.99 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	106.383, 211.600, 257.124, 90.00, 90.00, 90.00
R / Rfree (%)	26.5 / 29.9

The structure of Crystal Structure of A Na+-Bound Na+,K+-Atpase Preceding the E1P State Without Oligomycin also contains other interesting chemical elements:

Fluorine	(F)	8 atoms
Magnesium	(Mg)	4 atoms
Sodium	(Na)	8 atoms

The binding sites of Aluminium atom in the Crystal Structure of A Na+-Bound Na+,K+-Atpase Preceding the E1P State Without Oligomycin (pdb code 3wgu). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 2 binding sites of Aluminium where determined in the Crystal Structure of A Na+-Bound Na+,K+-Atpase Preceding the E1P State Without Oligomycin, PDB code: 3wgu:
Jump to Aluminium binding site number: 1; 2;

Aluminium binding site 1 out of 2 in the Crystal Structure of A Na+-Bound Na+,K+-Atpase Preceding the E1P State Without Oligomycin


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Crystal Structure of A Na+-Bound Na+,K+-Atpase Preceding the E1P State Without Oligomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Al2002 b:9.4 occ:1.00 AL A:ALF2002 0.0 9.4 1.0 F1 A:ALF2002 1.8 16.4 1.0 F3 A:ALF2002 1.8 22.8 1.0 F2 A:ALF2002 1.8 42.8 1.0 F4 A:ALF2002 1.8 0.9 1.0 OD1 A:ASP369 2.3 22.8 1.0 O3B A:ADP2004 2.5 36.0 1.0 OD2 A:ASP369 2.7 38.9 1.0 CG A:ASP369 2.8 44.7 1.0 MG A:MG2003 3.2 24.6 1.0 PB A:ADP2004 3.4 41.0 1.0 O1B A:ADP2004 3.4 51.8 1.0 OG1 A:THR371 3.6 62.6 1.0 O A:HOH2109 3.7 36.5 1.0 O3A A:ADP2004 3.7 6.8 1.0 N A:THR371 3.7 52.4 1.0 NZ A:LYS691 3.8 27.4 1.0 N A:LYS370 4.0 29.4 1.0 ND2 A:ASN713 4.1 52.7 1.0 O A:THR371 4.1 35.1 1.0 OG1 A:THR610 4.3 42.0 1.0 CB A:ASP369 4.3 42.1 1.0 CB A:THR371 4.3 51.8 1.0 N A:GLY611 4.3 52.7 1.0 CA A:THR371 4.5 48.8 1.0 CA A:THR610 4.6 29.3 1.0 C A:LYS370 4.7 52.1 1.0 CE A:LYS691 4.7 22.2 1.0 CA A:LYS370 4.7 37.8 1.0 CB A:THR610 4.7 46.0 1.0 CA A:ASP369 4.8 24.4 1.0 C A:THR371 4.8 37.5 1.0 O2B A:ADP2004 4.8 24.7 1.0 C A:ASP369 4.8 27.2 1.0 CB A:LYS370 4.8 38.2 1.0 O1A A:ADP2004 4.8 50.1 1.0 OD1 A:ASP714 4.9 49.7 1.0 OD1 A:ASP710 4.9 42.9 1.0 PA A:ADP2004 4.9 38.2 1.0 OD1 A:ASN713 4.9 57.4 1.0 O A:VAL609 4.9 28.3 1.0 CG A:ASN713 5.0 53.4 1.0

Aluminium binding site 2 out of 2 in the Crystal Structure of A Na+-Bound Na+,K+-Atpase Preceding the E1P State Without Oligomycin


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Crystal Structure of A Na+-Bound Na+,K+-Atpase Preceding the E1P State Without Oligomycin within 5.0Å range: probe atom residue distance (Å) B Occ C:Al2002 b:67.6 occ:1.00 AL C:ALF2002 0.0 67.6 1.0 F1 C:ALF2002 1.8 38.8 1.0 F3 C:ALF2002 1.8 56.9 1.0 F4 C:ALF2002 1.8 48.1 1.0 F2 C:ALF2002 1.8 56.6 1.0 OD1 C:ASP369 2.4 67.4 1.0 O3B C:ADP2004 2.4 64.4 1.0 OD2 C:ASP369 2.9 64.3 1.0 CG C:ASP369 3.0 64.3 1.0 O3A C:ADP2004 3.0 8.3 1.0 MG C:MG2003 3.3 48.3 1.0 PB C:ADP2004 3.3 66.1 1.0 NZ C:LYS691 3.7 42.4 1.0 O1B C:ADP2004 4.0 66.0 1.0 O C:HOH2105 4.0 48.9 1.0 N C:GLY611 4.1 52.6 1.0 OG1 C:THR610 4.2 67.7 1.0 ND2 C:ASN713 4.2 45.5 1.0 OG1 C:THR371 4.4 85.4 1.0 PA C:ADP2004 4.4 60.8 1.0 MG C:MG2001 4.4 96.2 1.0 N C:THR371 4.4 75.6 1.0 CB C:ASP369 4.4 59.9 1.0 O C:THR371 4.5 81.8 1.0 O1A C:ADP2004 4.6 66.6 1.0 CA C:THR610 4.6 52.5 1.0 N C:LYS370 4.6 63.7 1.0 CE C:LYS691 4.6 43.9 1.0 O2B C:ADP2004 4.6 58.7 1.0 CB C:THR371 4.7 80.1 1.0 OD1 C:ASN713 4.7 51.2 1.0 C C:THR610 4.8 52.8 1.0 CB C:THR610 4.8 72.0 1.0 CG C:ASN713 4.9 47.6 1.0 OD1 C:ASP714 4.9 73.4 1.0 CA C:GLY611 4.9 53.1 1.0 OD1 C:ASP710 5.0 84.7 1.0

R.Kanai, H.Ogawa, B.Vilsen, F.Cornelius, C.Toyoshima. Crystal Structure of A NA1-Bound NA1,K1-Atpase Preceding the E1P State Nature V. 502 201 2013.
ISSN: ISSN 0028-0836