Vanadium in PDB 7q0t: Lysozyme Soaked with V(IV)OSO4

All present enzymatic activity of Lysozyme Soaked with V(IV)OSO4:
3.2.1.17;

The structure of Lysozyme Soaked with V(IV)OSO4, PDB code: 7q0t was solved by M.F.A.Santos, A.C.P.Fernandes, I.Correia, G.Sciortino, E.Garribba, T.Santos-Silva, J.C.Pessoa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.05 / 1.34
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.102, 78.102, 36.577, 90, 90, 90
R / Rfree (%)	12.7 / 17.1

The structure of Lysozyme Soaked with V(IV)OSO4 also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Sodium	(Na)	1 atom

The binding sites of Vanadium atom in the Lysozyme Soaked with V(IV)OSO4 (pdb code 7q0t). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total 3 binding sites of Vanadium where determined in the Lysozyme Soaked with V(IV)OSO4, PDB code: 7q0t:
Jump to Vanadium binding site number: 1; 2; 3;

Vanadium binding site 1 out of 3 in the Lysozyme Soaked with V(IV)OSO4


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of Lysozyme Soaked with V(IV)OSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:V208 b:34.0 occ:0.65 O A:O213 1.7 27.8 0.7 O A:HOH369 2.0 38.9 0.7 O A:HOH364 2.1 25.6 0.7 OD2 A:ASP87 2.2 32.0 1.0 CG A:ASP87 3.1 23.7 1.0 OD1 A:ASP87 3.3 21.2 1.0 O A:HOH339 3.7 45.1 1.0 OG1 A:THR89 3.9 21.7 1.0 NH2 A:ARG14 4.2 39.3 1.0 CB A:ASP87 4.4 18.9 1.0 O A:HOH386 4.5 37.8 1.0 CE1 A:HIS15 4.8 26.4 1.0

Vanadium binding site 2 out of 3 in the Lysozyme Soaked with V(IV)OSO4


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 2 of Lysozyme Soaked with V(IV)OSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:V209 b:15.3 occ:0.50 O A:O211 1.7 16.1 0.5 O A:HOH325 2.1 7.6 0.5 OXT A:LEU129 2.1 15.2 1.0 O A:HOH380 2.5 13.2 0.5 C A:LEU129 3.0 16.4 1.0 O A:LEU129 3.3 16.9 1.0 O A:ALA10 4.0 13.3 1.0 CB A:ALA10 4.3 12.8 1.0 CA A:LEU129 4.3 18.1 1.0 CA A:ALA10 4.4 12.7 1.0 C A:ALA10 4.6 12.6 1.0 CB A:LEU129 4.6 18.4 1.0 O A:HOH433 4.9 33.2 1.0 CB A:ARG14 4.9 18.9 1.0

Vanadium binding site 3 out of 3 in the Lysozyme Soaked with V(IV)OSO4


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 3 of Lysozyme Soaked with V(IV)OSO4 within 5.0Å range: probe atom residue distance (Å) B Occ A:V210 b:23.0 occ:0.55 O A:O212 1.7 29.1 0.6 OD2 A:ASP52 2.0 22.3 1.0 CL A:CL207 2.1 20.4 0.6 O A:HOH312 2.1 18.4 0.6 OD1 A:ASN46 2.1 21.4 1.0 CG A:ASP52 3.0 15.0 1.0 CG A:ASN46 3.0 21.0 1.0 OD1 A:ASP52 3.3 17.0 1.0 ND2 A:ASN46 3.4 21.1 1.0 O A:HOH374 3.7 34.2 1.0 O A:HOH348 3.9 23.7 1.0 O A:HOH324 4.1 34.6 1.0 CB A:ASP52 4.3 12.8 1.0 CB A:ASN46 4.3 18.6 1.0 O A:HOH388 4.6 26.5 1.0 CA A:ASN46 4.8 18.1 1.0 O A:HOH395 5.0 39.7 1.0

M.F.A.Santos, G.Sciortino, I.Correia, A.C.P.Fernandes, T.Santos-Silva, F.Pisanu, E.Garribba, J.Costa Pessoa. Binding of V IV O 2+ , V IV Ol, V IV Ol 2 and V V O 2 L Moieties to Proteins: X-Ray/Theoretical Characterization and Biological Implications. Chemistry V. 28 00105 2022.
ISSN: ISSN 0947-6539
PubMed: 35486702
DOI: 10.1002/CHEM.202200105