Aluminium in PDB 6zhg: CA2+-Atpase From Listeria Monocytogenes in Complex with Alf

The structure of CA2+-Atpase From Listeria Monocytogenes in Complex with Alf, PDB code: 6zhg was solved by S.Basse Hansen, M.Dyla, C.Neumann, E.M.H.Quistgaard, J.Lauwring Andersen, M.Kjaergaard, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.47 / 4.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	181.272, 69.213, 124.258, 90, 90, 90
R / Rfree (%)	30.9 / 32.7

The structure of CA2+-Atpase From Listeria Monocytogenes in Complex with Alf also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Magnesium	(Mg)	1 atom

The binding sites of Aluminium atom in the CA2+-Atpase From Listeria Monocytogenes in Complex with Alf (pdb code 6zhg). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total only one binding site of Aluminium was determined in the CA2+-Atpase From Listeria Monocytogenes in Complex with Alf, PDB code: 6zhg:

Aluminium binding site 1 out of 1 in the CA2+-Atpase From Listeria Monocytogenes in Complex with Alf


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of CA2+-Atpase From Listeria Monocytogenes in Complex with Alf within 5.0Å range: probe atom residue distance (Å) B Occ A:Al901 b:151.8 occ:1.00 AL A:ALF901 0.0 151.8 1.0 OD1 A:ASP334 1.7 145.8 1.0 F2 A:ALF901 1.8 150.1 1.0 F1 A:ALF901 1.8 153.7 1.0 F3 A:ALF901 1.8 153.0 1.0 F4 A:ALF901 1.8 150.8 1.0 CG A:ASP334 2.3 144.8 1.0 OD2 A:ASP334 2.4 144.5 1.0 O A:HOH1003 2.9 155.1 1.0 MG A:MG902 3.4 148.1 1.0 O A:THR336 3.5 150.0 1.0 CB A:ASP334 3.8 143.9 1.0 OG1 A:THR336 3.8 153.7 1.0 ND2 A:ASN626 3.9 151.2 1.0 OG1 A:THR549 3.9 153.4 1.0 NZ A:LYS604 4.0 150.4 1.0 O A:HOH1001 4.0 146.6 1.0 N A:THR336 4.2 153.4 1.0 OD2 A:ASP627 4.2 148.8 1.0 OD1 A:ASP623 4.3 141.1 1.0 O A:THR165 4.3 153.6 1.0 N A:LYS335 4.4 153.9 1.0 C A:THR336 4.5 151.3 1.0 CA A:ASP334 4.5 145.4 1.0 OD1 A:ASN626 4.5 148.4 1.0 CA A:GLY166 4.6 158.2 1.0 CG A:ASN626 4.7 149.4 1.0 C A:ASP334 4.7 147.2 1.0 CA A:THR336 4.7 153.4 1.0 N A:GLY550 4.8 159.1 1.0 C A:GLY166 4.9 159.9 1.0 O A:HOH1002 4.9 149.9 1.0 O A:GLY166 4.9 159.7 1.0 CB A:THR336 4.9 154.6 1.0 CB A:THR549 4.9 153.6 1.0 OD1 A:ASP627 4.9 149.0 1.0 CG A:ASP627 4.9 148.1 1.0 CA A:THR549 5.0 152.2 1.0

S.Basse Hansen, M.Dyla, C.Neumann, E.Meldgaard Hoegh Quistgaard, J.Lauwring Andersen, M.Kjaergaard, P.Nissen. The Crystal Structure of the Ca 2+ -Atpase 1 From Listeria Monocytogenes Reveals A Pump Primed For Dephosphorylation. J.Mol.Biol. 67015 2021.
ISSN: ESSN 1089-8638
PubMed: 33933469
DOI: 10.1016/J.JMB.2021.167015