Chlorine in PDB 7q0u: Lysozyme Soaked with V(IV)OSO4 and Bipy

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

The structure of Lysozyme Soaked with V(IV)OSO4 and Bipy, PDB code: 7q0u 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)	38.10 / 1.19
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.14, 76.14, 37.008, 90, 90, 90
R / Rfree (%)	12.8 / 15.6

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

Sodium	(Na)	1 atom
Vanadium	(V)	1 atom

The binding sites of Chlorine atom in the Lysozyme Soaked with V(IV)OSO4 and Bipy (pdb code 7q0u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Lysozyme Soaked with V(IV)OSO4 and Bipy, PDB code: 7q0u:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Lysozyme Soaked with V(IV)OSO4 and Bipy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lysozyme Soaked with V(IV)OSO4 and Bipy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:19.8 occ:1.00 O A:HOH339 3.1 16.4 1.0 O A:HOH406 3.1 29.6 1.0 O A:HOH366 3.2 31.1 1.0 O A:HOH336 3.3 32.5 1.0 N A:THR69 3.3 17.4 1.0 O A:THR69 3.4 22.4 1.0 CA A:GLY67 3.5 18.2 1.0 C A:GLY67 3.6 17.7 1.0 N A:ARG68 3.6 16.8 1.0 OG A:SER72 3.6 21.6 1.0 OD1 A:ASN65 3.6 18.9 1.0 N A:GLY67 3.6 16.4 1.0 C A:THR69 3.7 17.7 1.0 O A:HOH357 3.9 20.4 1.0 CA A:THR69 3.9 16.8 1.0 O A:GLY67 4.1 21.8 1.0 CB A:THR69 4.3 18.4 1.0 OD1 A:ASP66 4.3 16.3 1.0 C A:ARG68 4.3 16.7 1.0 CA A:ARG68 4.4 16.6 1.0 O A:HOH420 4.4 41.5 0.5 N A:PRO70 4.6 21.7 1.0 NA A:NA209 4.7 18.3 1.0 C A:ASP66 4.7 15.2 1.0 O A:HOH345 4.8 26.3 0.5 CG A:ASN65 4.8 18.8 1.0 CB A:SER72 4.9 20.6 1.0 OG1 A:THR69 4.9 18.9 1.0 N A:ASP66 4.9 14.4 1.0 CA A:PRO70 5.0 22.5 1.0

Chlorine binding site 2 out of 5 in the Lysozyme Soaked with V(IV)OSO4 and Bipy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lysozyme Soaked with V(IV)OSO4 and Bipy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:17.7 occ:1.00 O A:HOH315 3.0 15.4 0.9 N8 A:0BP201 3.6 14.9 0.9 C7 A:0BP201 3.7 14.8 0.9 CB A:ASN44 3.7 13.6 1.0 C9 A:0BP201 3.8 15.0 0.9 CG A:ASN44 3.9 13.8 1.0 C12 A:0BP201 3.9 15.3 0.9 C2 A:0BP201 4.1 15.5 0.9 OD1 A:ASN44 4.1 16.1 1.0 C10 A:0BP201 4.1 15.3 0.9 C11 A:0BP201 4.2 15.2 0.9 N1 A:0BP201 4.3 15.9 0.9 O A:ARG45 4.4 16.4 1.0 V A:V202 4.5 15.0 0.9 ND2 A:ASN44 4.5 14.2 1.0 C3 A:0BP201 4.8 17.4 0.9

Chlorine binding site 3 out of 5 in the Lysozyme Soaked with V(IV)OSO4 and Bipy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Lysozyme Soaked with V(IV)OSO4 and Bipy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:33.0 occ:1.00 OH A:TYR23 3.0 16.2 1.0 O A:HOH348 3.5 23.9 1.0 CZ A:TYR23 3.6 13.8 1.0 CE2 A:TYR23 3.6 14.1 1.0 O A:HOH307 4.0 36.5 1.0 CA A:GLY104 4.0 16.1 1.0 O A:ARG21 4.4 17.1 1.0 N A:GLY104 4.6 17.5 1.0 CE1 A:TYR23 4.8 13.5 1.0 CD2 A:TYR23 4.8 13.5 1.0

Chlorine binding site 4 out of 5 in the Lysozyme Soaked with V(IV)OSO4 and Bipy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Lysozyme Soaked with V(IV)OSO4 and Bipy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:15.2 occ:0.75 O A:HOH340 3.1 20.5 1.0 O A:HOH329 3.1 19.7 1.0 ND2 A:ASN44 3.4 14.2 1.0 CB A:ALA42 3.8 13.5 1.0 OD1 A:ASN44 4.1 16.1 1.0 CG A:ASN44 4.2 13.8 1.0 O A:SER36 4.5 14.6 1.0 CA A:ALA42 4.7 13.5 1.0 O A:GLU35 4.7 13.8 1.0 CA A:SER36 4.7 13.8 1.0 C A:SER36 4.7 13.9 1.0 O A:HOH373 4.8 33.0 1.0

Chlorine binding site 5 out of 5 in the Lysozyme Soaked with V(IV)OSO4 and Bipy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Lysozyme Soaked with V(IV)OSO4 and Bipy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:38.9 occ:1.00 ND2 A:ASN74 3.3 20.5 1.0 O A:HOH382 3.8 33.4 1.0 CB A:ASN74 3.8 18.6 1.0 CB A:ASN65 3.8 17.3 1.0 CG A:ASN65 4.0 18.8 1.0 CG A:ASN74 4.1 19.3 1.0 OD1 A:ASN65 4.3 18.9 1.0 O A:HOH357 4.4 20.4 1.0 ND2 A:ASN65 4.5 20.3 1.0 O A:HOH420 4.6 41.5 0.5 O A:HOH336 4.8 32.5 1.0 O A:HOH387 4.9 28.5 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