Molybdenum 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:

Aluminium

(Al)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Molybdenum 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 Molybdenum atom.
In total 12 binding sites of Molybdenum where determined in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin, PDB code: 6xv0:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Molybdenum binding site 1 out of 12 in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo 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:Mo607 b:29.7 occ:0.22 MO44 A:M6O607 0.0 29.7 0.2 O31 A:M6O607 1.7 27.7 0.2 O30 A:M6O607 1.7 15.4 0.2 O24 A:M6O607 1.9 60.5 0.2 O29 A:M6O607 1.9 32.5 0.2 O18 A:M6O607 2.3 40.5 0.2 O23 A:M6O607 2.4 38.5 0.2 MO45 A:M6O607 3.3 63.2 0.2 C04 A:M6O607 3.3 48.0 0.2 AL43 A:M6O607 3.3 47.2 0.2 MO49 A:M6O607 3.3 42.3 0.2 O32 A:M6O607 3.7 66.0 0.2 O40 A:M6O607 3.7 41.2 0.2 O19 A:M6O607 3.8 42.8 0.2 O22 A:M6O607 3.8 42.8 0.2 NH2 A:ARG197 4.0 44.8 1.0 CZ A:ARG197 4.2 49.3 1.0 NH1 A:ARG197 4.4 41.5 1.0 C02 A:M6O607 4.4 38.3 0.2 C05 A:M6O607 4.4 35.8 0.2 O33 A:M6O607 4.6 39.7 0.2 CG2 A:VAL462 4.6 61.8 1.0 O39 A:M6O607 4.6 60.5 0.2 NE A:ARG197 4.7 56.7 1.0 O25 A:M6O607 4.7 40.5 0.2 O28 A:M6O607 4.7 39.5 0.2 O21 A:M6O607 4.9 53.7 0.2 O20 A:M6O607 4.9 28.0 0.2

Molybdenum binding site 2 out of 12 in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo 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:Mo607 b:63.2 occ:0.22 MO45 A:M6O607 0.0 63.2 0.2 O32 A:M6O607 1.7 66.0 0.2 O33 A:M6O607 1.7 39.7 0.2 O24 A:M6O607 1.9 60.5 0.2 O25 A:M6O607 1.9 40.5 0.2 O18 A:M6O607 2.3 40.5 0.2 O19 A:M6O607 2.3 42.8 0.2 NH2 A:ARG197 3.2 44.8 1.0 MO44 A:M6O607 3.3 29.7 0.2 C02 A:M6O607 3.3 38.3 0.2 AL43 A:M6O607 3.3 47.2 0.2 MO46 A:M6O607 3.3 49.6 0.2 NH1 A:ARG197 3.7 41.5 1.0 O31 A:M6O607 3.7 27.7 0.2 O34 A:M6O607 3.7 31.0 0.2 O20 A:M6O607 3.8 28.0 0.2 O23 A:M6O607 3.8 38.5 0.2 CZ A:ARG197 3.8 49.3 1.0 C04 A:M6O607 4.4 48.0 0.2 C05 A:M6O607 4.5 35.8 0.2 O30 A:M6O607 4.5 15.4 0.2 O42 A:M6O607 4.6 44.3 0.2 O29 A:M6O607 4.7 32.5 0.2 O26 A:M6O607 4.8 25.3 0.2 OD1 A:ASN109 4.8 74.8 1.0 O21 A:M6O607 4.9 53.7 0.2 O22 A:M6O607 4.9 42.8 0.2 NE2 A:HIS146 5.0 43.0 1.0

Molybdenum binding site 3 out of 12 in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo607 b:49.6 occ:0.22 MO46 A:M6O607 0.0 49.6 0.2 O34 A:M6O607 1.7 31.0 0.2 O42 A:M6O607 1.7 44.3 0.2 O26 A:M6O607 1.9 25.3 0.2 O25 A:M6O607 1.9 40.5 0.2 O20 A:M6O607 2.3 28.0 0.2 O19 A:M6O607 2.3 42.8 0.2 C02 A:M6O607 3.3 38.3 0.2 MO47 A:M6O607 3.3 50.7 0.2 AL43 A:M6O607 3.3 47.2 0.2 MO45 A:M6O607 3.3 63.2 0.2 O33 A:M6O607 3.7 39.7 0.2 O35 A:M6O607 3.7 74.0 0.2 O21 A:M6O607 3.8 53.7 0.2 O18 A:M6O607 3.8 40.5 0.2 C03 A:M6O607 4.3 48.5 0.2 C05 A:M6O607 4.4 35.8 0.2 O36 A:M6O607 4.6 44.0 0.2 O32 A:M6O607 4.6 66.0 0.2 O24 A:M6O607 4.7 60.5 0.2 O27 A:M6O607 4.7 56.5 0.2 O23 A:M6O607 4.9 38.5 0.2 O22 A:M6O607 4.9 42.8 0.2 NE2 A:HIS146 4.9 43.0 1.0

Molybdenum binding site 4 out of 12 in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo607 b:50.7 occ:0.22 MO47 A:M6O607 0.0 50.7 0.2 O36 A:M6O607 1.7 44.0 0.2 O35 A:M6O607 1.7 74.0 0.2 O26 A:M6O607 1.9 25.3 0.2 O27 A:M6O607 1.9 56.5 0.2 O20 A:M6O607 2.3 28.0 0.2 O21 A:M6O607 2.3 53.7 0.2 C03 A:M6O607 3.3 48.5 0.2 MO46 A:M6O607 3.3 49.6 0.2 MO48 A:M6O607 3.3 65.3 0.2 AL43 A:M6O607 3.3 47.2 0.2 O37 A:M6O607 3.6 26.6 0.2 O42 A:M6O607 3.7 44.3 0.2 O22 A:M6O607 3.8 42.8 0.2 O19 A:M6O607 3.8 42.8 0.2 C02 A:M6O607 4.4 38.3 0.2 C05 A:M6O607 4.4 35.8 0.2 O38 A:M6O607 4.6 33.7 0.2 O34 A:M6O607 4.6 31.0 0.2 O25 A:M6O607 4.7 40.5 0.2 O28 A:M6O607 4.7 39.5 0.2 O23 A:M6O607 4.8 38.5 0.2 O18 A:M6O607 4.9 40.5 0.2

Molybdenum binding site 5 out of 12 in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 5 of Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo607 b:65.3 occ:0.22 MO48 A:M6O607 0.0 65.3 0.2 O38 A:M6O607 1.7 33.7 0.2 O37 A:M6O607 1.7 26.6 0.2 O27 A:M6O607 1.9 56.5 0.2 O28 A:M6O607 1.9 39.5 0.2 O22 A:M6O607 2.3 42.8 0.2 O21 A:M6O607 2.3 53.7 0.2 C03 A:M6O607 3.3 48.5 0.2 MO47 A:M6O607 3.3 50.7 0.2 MO49 A:M6O607 3.3 42.3 0.2 AL43 A:M6O607 3.3 47.2 0.2 O36 A:M6O607 3.6 44.0 0.2 O39 A:M6O607 3.7 60.5 0.2 CD2 A:LEU463 3.8 68.7 1.0 O23 A:M6O607 3.8 38.5 0.2 O20 A:M6O607 3.8 28.0 0.2 C04 A:M6O607 4.4 48.0 0.2 C05 A:M6O607 4.4 35.8 0.2 O40 A:M6O607 4.6 41.2 0.2 O35 A:M6O607 4.6 74.0 0.2 O29 A:M6O607 4.7 32.5 0.2 O26 A:M6O607 4.7 25.3 0.2 CG A:LEU463 4.8 50.8 1.0 O19 A:M6O607 4.9 42.8 0.2 O18 A:M6O607 4.9 40.5 0.2

Molybdenum binding site 6 out of 12 in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 6 of Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo607 b:42.3 occ:0.22 MO49 A:M6O607 0.0 42.3 0.2 O40 A:M6O607 1.7 41.2 0.2 O39 A:M6O607 1.7 60.5 0.2 O28 A:M6O607 1.9 39.5 0.2 O29 A:M6O607 1.9 32.5 0.2 O23 A:M6O607 2.3 38.5 0.2 O22 A:M6O607 2.3 42.8 0.2 CG2 A:VAL462 3.0 61.8 1.0 C04 A:M6O607 3.2 48.0 0.2 MO48 A:M6O607 3.3 65.3 0.2 AL43 A:M6O607 3.3 47.2 0.2 MO44 A:M6O607 3.3 29.7 0.2 O30 A:M6O607 3.7 15.4 0.2 O38 A:M6O607 3.7 33.7 0.2 O21 A:M6O607 3.8 53.7 0.2 O18 A:M6O607 3.8 40.5 0.2 CB A:VAL462 3.9 47.0 1.0 C03 A:M6O607 4.3 48.5 0.2 C05 A:M6O607 4.4 35.8 0.2 CD2 A:LEU463 4.4 68.7 1.0 O A:VAL462 4.4 72.5 1.0 C A:VAL462 4.5 59.6 1.0 O37 A:M6O607 4.6 26.6 0.2 O31 A:M6O607 4.6 27.7 0.2 O24 A:M6O607 4.7 60.5 0.2 O27 A:M6O607 4.7 56.5 0.2 N A:LEU463 4.8 48.5 1.0 CG A:LEU463 4.8 50.8 1.0 O19 A:M6O607 4.9 42.8 0.2 CA A:VAL462 4.9 50.0 1.0 O20 A:M6O607 4.9 28.0 0.2

Molybdenum binding site 7 out of 12 in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 7 of Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo608 b:39.4 occ:0.25 MO44 A:M6O608 0.0 39.4 0.2 O31 A:M6O608 1.7 46.4 0.2 O30 A:M6O608 1.7 38.7 0.2 O24 A:M6O608 1.9 23.9 0.2 O29 A:M6O608 1.9 41.8 0.2 O18 A:M6O608 2.3 31.9 0.2 O23 A:M6O608 2.4 25.3 0.2 MO45 A:M6O608 3.3 27.1 0.2 AL43 A:M6O608 3.3 30.6 0.2 MO49 A:M6O608 3.3 40.2 0.2 O32 A:M6O608 3.7 44.8 0.2 O40 A:M6O608 3.7 39.3 0.2 O19 A:M6O608 3.8 38.1 0.2 O22 A:M6O608 3.8 39.5 0.2 O33 A:M6O608 4.6 19.2 0.2 O39 A:M6O608 4.6 58.9 0.2 N A:LYS323 4.6 37.9 1.0 CA A:ALA322 4.7 44.2 1.0 N A:ASP324 4.7 36.5 1.0 CG2 A:VAL325 4.7 35.2 1.0 O25 A:M6O608 4.7 31.4 0.2 O28 A:M6O608 4.7 23.5 0.2 CB A:ALA322 4.8 40.9 1.0 CB A:ASP324 4.8 35.4 1.0 O21 A:M6O608 4.9 26.5 0.2 O20 A:M6O608 4.9 29.8 0.2

Molybdenum binding site 8 out of 12 in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 8 of Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo608 b:27.1 occ:0.25 MO45 A:M6O608 0.0 27.1 0.2 O32 A:M6O608 1.7 44.8 0.2 O33 A:M6O608 1.7 19.2 0.2 O24 A:M6O608 1.9 23.9 0.2 O25 A:M6O608 1.9 31.4 0.2 O18 A:M6O608 2.3 31.9 0.2 O19 A:M6O608 2.3 38.1 0.2 MO44 A:M6O608 3.3 39.4 0.2 AL43 A:M6O608 3.3 30.6 0.2 MO46 A:M6O608 3.3 33.8 0.2 O31 A:M6O608 3.7 46.4 0.2 O34 A:M6O608 3.7 19.4 0.2 O23 A:M6O608 3.8 25.3 0.2 O20 A:M6O608 3.8 29.8 0.2 CB A:ALA322 3.9 40.9 1.0 CG2 A:VAL325 4.4 35.2 1.0 O A:GLU321 4.5 44.3 1.0 CA A:ALA322 4.5 44.2 1.0 O30 A:M6O608 4.5 38.7 0.2 O42 A:M6O608 4.6 11.0 0.2 O29 A:M6O608 4.7 41.8 0.2 O26 A:M6O608 4.8 40.3 0.2 O21 A:M6O608 4.8 26.5 0.2 O22 A:M6O608 4.9 39.5 0.2

Molybdenum binding site 9 out of 12 in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 9 of Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo608 b:33.8 occ:0.25 MO46 A:M6O608 0.0 33.8 0.2 O34 A:M6O608 1.7 19.4 0.2 O42 A:M6O608 1.7 11.0 0.2 O26 A:M6O608 1.9 40.3 0.2 O25 A:M6O608 1.9 31.4 0.2 O20 A:M6O608 2.3 29.8 0.2 O19 A:M6O608 2.3 38.1 0.2 MO47 A:M6O608 3.3 28.5 0.2 AL43 A:M6O608 3.3 30.6 0.2 MO45 A:M6O608 3.3 27.1 0.2 O33 A:M6O608 3.7 19.2 0.2 O35 A:M6O608 3.8 1.9 0.2 O21 A:M6O608 3.8 26.5 0.2 O18 A:M6O608 3.8 31.9 0.2 O36 A:M6O608 4.6 52.4 0.2 O32 A:M6O608 4.6 44.8 0.2 O24 A:M6O608 4.7 23.9 0.2 O27 A:M6O608 4.7 17.0 0.2 O23 A:M6O608 4.8 25.3 0.2 O22 A:M6O608 4.9 39.5 0.2

Molybdenum binding site 10 out of 12 in the Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 10 of Lauric Acid Functionalized Hexamolybdoaluminate Bound to Human Serum Albumin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo608 b:28.5 occ:0.25 MO47 A:M6O608 0.0 28.5 0.2 O36 A:M6O608 1.7 52.4 0.2 O35 A:M6O608 1.7 1.9 0.2 O26 A:M6O608 1.9 40.3 0.2 O27 A:M6O608 1.9 17.0 0.2 O20 A:M6O608 2.3 29.8 0.2 O21 A:M6O608 2.3 26.5 0.2 MO46 A:M6O608 3.3 33.8 0.2 AL43 A:M6O608 3.3 30.6 0.2 MO48 A:M6O608 3.3 28.8 0.2 O37 A:M6O608 3.6 55.1 0.2 O42 A:M6O608 3.8 11.0 0.2 O22 A:M6O608 3.8 39.5 0.2 O19 A:M6O608 3.8 38.1 0.2 O34 A:M6O608 4.6 19.4 0.2 O38 A:M6O608 4.6 31.7 0.2 O25 A:M6O608 4.7 31.4 0.2 O28 A:M6O608 4.7 23.5 0.2 O23 A:M6O608 4.8 25.3 0.2 O18 A:M6O608 4.9 31.9 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