Aluminium in PDB 6xv0: Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin

The structure of Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin, PDB code: 6xv0 was solved by A.Bijelic, A.Dobrov, A.Roller, A.Rompel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.89 / 3.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	184.650, 38.540, 96.060, 90.00, 105.11, 90.00
R / Rfree (%)	26.9 / 31.1

The structure of Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin also contains other interesting chemical elements:

Molybdenum

(Mo)

12 atoms

The binding sites of Aluminium atom in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin (pdb code 6xv0). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 2 binding sites of Aluminium where determined in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin, PDB code: 6xv0:
Jump to Aluminium binding site number: 1; 2;

Aluminium binding site 1 out of 2 in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Al607 b:47.2 occ:0.22 AL43 A:M6O607 0.0 47.2 0.2 O18 A:M6O607 1.9 40.5 0.2 O20 A:M6O607 1.9 28.0 0.2 O22 A:M6O607 1.9 42.8 0.2 O21 A:M6O607 1.9 53.7 0.2 O23 A:M6O607 1.9 38.5 0.2 O19 A:M6O607 1.9 42.8 0.2 C03 A:M6O607 2.9 48.5 0.2 C04 A:M6O607 2.9 48.0 0.2 C02 A:M6O607 2.9 38.3 0.2 C05 A:M6O607 3.0 35.8 0.2 MO48 A:M6O607 3.3 65.3 0.2 MO47 A:M6O607 3.3 50.7 0.2 MO45 A:M6O607 3.3 63.2 0.2 MO46 A:M6O607 3.3 49.6 0.2 MO44 A:M6O607 3.3 29.7 0.2 MO49 A:M6O607 3.3 42.3 0.2 O27 A:M6O607 3.3 56.5 0.2 O25 A:M6O607 3.3 40.5 0.2 O29 A:M6O607 3.3 32.5 0.2 O24 A:M6O607 3.4 60.5 0.2 O28 A:M6O607 3.4 39.5 0.2 O26 A:M6O607 3.4 25.3 0.2 N01 A:M6O607 4.5 32.3 0.2 O32 A:M6O607 4.5 66.0 0.2 O36 A:M6O607 4.5 44.0 0.2 O37 A:M6O607 4.5 26.6 0.2 O34 A:M6O607 4.5 31.0 0.2 O31 A:M6O607 4.5 27.7 0.2 O40 A:M6O607 4.5 41.2 0.2 O38 A:M6O607 4.6 33.7 0.2 O39 A:M6O607 4.6 60.5 0.2 O30 A:M6O607 4.6 15.4 0.2 O42 A:M6O607 4.6 44.3 0.2 O33 A:M6O607 4.6 39.7 0.2 O35 A:M6O607 4.6 74.0 0.2

Aluminium binding site 2 out of 2 in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Al608 b:30.6 occ:0.25 AL43 A:M6O608 0.0 30.6 0.2 O18 A:M6O608 1.9 31.9 0.2 O20 A:M6O608 1.9 29.8 0.2 O22 A:M6O608 1.9 39.5 0.2 O21 A:M6O608 1.9 26.5 0.2 O23 A:M6O608 1.9 25.3 0.2 O19 A:M6O608 1.9 38.1 0.2 MO47 A:M6O608 3.3 28.5 0.2 MO46 A:M6O608 3.3 33.8 0.2 MO48 A:M6O608 3.3 28.8 0.2 MO45 A:M6O608 3.3 27.1 0.2 MO49 A:M6O608 3.3 40.2 0.2 MO44 A:M6O608 3.3 39.4 0.2 O27 A:M6O608 3.3 17.0 0.2 O25 A:M6O608 3.3 31.4 0.2 O29 A:M6O608 3.3 41.8 0.2 O24 A:M6O608 3.4 23.9 0.2 O28 A:M6O608 3.4 23.5 0.2 O26 A:M6O608 3.4 40.3 0.2 O32 A:M6O608 4.5 44.8 0.2 O36 A:M6O608 4.5 52.4 0.2 O37 A:M6O608 4.5 55.1 0.2 O40 A:M6O608 4.5 39.3 0.2 O34 A:M6O608 4.5 19.4 0.2 O31 A:M6O608 4.5 46.4 0.2 O39 A:M6O608 4.6 58.9 0.2 O38 A:M6O608 4.6 31.7 0.2 O30 A:M6O608 4.6 38.7 0.2 O42 A:M6O608 4.6 11.0 0.2 O33 A:M6O608 4.6 19.2 0.2 O35 A:M6O608 4.6 1.9 0.2

A.Bijelic, A.Dobrov, A.Roller, A.Rompel. Binding of A Fatty Acid Functionalized Polyoxometalate to Human Serum Albumin Inorg.Chem. 2020.
ISSN: ISSN 0020-1669
DOI: 10.1021/ACS.INORGCHEM.9B03407