Vanadium in PDB 7q0v: Lysozyme Soaked with V(IV)OSO4 and Phen

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

The structure of Lysozyme Soaked with V(IV)OSO4 and Phen, PDB code: 7q0v 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)	38.84 / 1.12
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.68, 77.68, 37.757, 90, 90, 90
R / Rfree (%)	14.7 / 17.6

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

Sodium	(Na)	1 atom
Chlorine	(Cl)	6 atoms

The binding sites of Vanadium atom in the Lysozyme Soaked with V(IV)OSO4 and Phen (pdb code 7q0v). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total 4 binding sites of Vanadium where determined in the Lysozyme Soaked with V(IV)OSO4 and Phen, PDB code: 7q0v:
Jump to Vanadium binding site number: 1; 2; 3; 4;

Vanadium binding site 1 out of 4 in the Lysozyme Soaked with V(IV)OSO4 and Phen


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 and Phen within 5.0Å range: probe atom residue distance (Å) B Occ A:V202 b:23.2 occ:0.75 O A:O206 1.6 19.9 0.8 OD2 A:ASP52 2.0 18.7 1.0 OD1 A:ASN46 2.1 18.0 1.0 N10 A:PHN201 2.1 27.6 0.8 O A:HOH310 2.2 26.6 1.0 N1 A:PHN201 2.2 26.7 0.8 C1A A:PHN201 2.8 25.7 0.8 C10 A:PHN201 2.8 26.3 0.8 CG A:ASP52 3.0 14.2 1.0 CG A:ASN46 3.2 17.0 1.0 C9 A:PHN201 3.2 28.7 0.8 C2 A:PHN201 3.3 23.5 0.8 OD1 A:ASP52 3.4 14.6 1.0 ND2 A:ASN46 3.6 15.6 1.0 C4A A:PHN201 4.2 24.8 0.8 CB A:ASP52 4.2 12.2 1.0 C6A A:PHN201 4.3 26.3 0.8 O A:HOH372 4.3 32.0 1.0 O A:HOH313 4.3 30.2 1.0 C8 A:PHN201 4.5 29.9 0.8 CB A:ASN46 4.5 16.3 1.0 C3 A:PHN201 4.5 24.5 0.8 CL A:CL211 4.6 17.7 0.5 CA A:ASN46 4.9 16.4 1.0 O A:ARG45 4.9 20.6 0.5 C7 A:PHN201 4.9 28.4 0.8 O A:ASN44 4.9 13.7 1.0 C4 A:PHN201 4.9 23.9 0.8 ND2 A:ASN59 5.0 20.2 0.6

Vanadium binding site 2 out of 4 in the Lysozyme Soaked with V(IV)OSO4 and Phen


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 and Phen within 5.0Å range: probe atom residue distance (Å) B Occ A:V203 b:22.2 occ:0.50 O A:HOH304 2.2 35.0 1.0 OD1 A:ASP119 3.8 31.1 1.0 CB A:GLN121 4.2 20.8 1.0 OE1 A:GLN121 4.2 30.0 1.0 O A:HOH420 4.5 42.2 1.0 CG A:ASP119 4.6 26.1 1.0 CG A:GLN121 4.6 25.3 1.0 CD A:GLN121 4.8 27.6 1.0 OD2 A:ASP119 4.8 30.5 1.0

Vanadium binding site 3 out of 4 in the Lysozyme Soaked with V(IV)OSO4 and Phen


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 and Phen within 5.0Å range: probe atom residue distance (Å) B Occ A:V204 b:20.8 occ:0.50 O A:HOH341 1.6 33.6 1.0 O A:HOH400 2.1 40.2 1.0 OD1 A:ASP101 2.2 38.6 1.0 O A:HOH368 2.7 40.1 1.0 O A:HOH446 3.0 30.0 1.0 CG A:ASP101 3.2 40.4 1.0 O A:HOH407 3.4 31.7 1.0 OD2 A:ASP101 3.5 52.5 1.0 O A:HOH432 3.9 53.8 1.0 O A:ASP101 3.9 38.6 1.0 O A:HOH417 4.4 42.3 1.0 CB A:ASP101 4.6 37.6 1.0 O A:HOH451 4.6 44.7 1.0 C A:ASP101 4.8 35.1 1.0 O A:HOH413 5.0 32.8 1.0

Vanadium binding site 4 out of 4 in the Lysozyme Soaked with V(IV)OSO4 and Phen


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 4 of Lysozyme Soaked with V(IV)OSO4 and Phen within 5.0Å range: probe atom residue distance (Å) B Occ A:V205 b:24.5 occ:0.50 O A:HOH427 2.2 51.5 1.0 O A:HOH456 2.2 24.6 1.0 O A:HOH448 2.9 40.1 1.0 O A:HOH455 4.3 47.1 1.0 O A:HOH431 4.9 52.5 1.0 NH1 A:ARG125 4.9 53.2 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