Chlorine in PDB 4c3w: Vanadium(IV)-Picolinate Complexed with Lysozyme

All present enzymatic activity of Vanadium(IV)-Picolinate Complexed with Lysozyme:
3.2.1.17;

The structure of Vanadium(IV)-Picolinate Complexed with Lysozyme, PDB code: 4c3w was solved by M.F.A.Santos, I.Correia, A.R.Oliveira, E.Garribba, J.C.Pessoa, M.J.Romao, T.Santos-Silva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.94 / 1.28
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.120, 78.120, 37.320, 90.00, 90.00, 90.00
R / Rfree (%)	14.445 / 17.492

The structure of Vanadium(IV)-Picolinate Complexed with Lysozyme also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Vanadium(IV)-Picolinate Complexed with Lysozyme (pdb code 4c3w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Vanadium(IV)-Picolinate Complexed with Lysozyme, PDB code: 4c3w:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Vanadium(IV)-Picolinate Complexed with Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Vanadium(IV)-Picolinate Complexed with Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1134 b:10.4 occ:1.00 O A:HOH2100 3.1 7.1 1.0 O A:HOH2045 3.2 20.4 1.0 O A:HOH2108 3.2 24.5 1.0 O A:HOH2102 3.3 28.4 1.0 N A:THR69 3.3 7.2 1.0 O A:THR69 3.3 8.8 1.0 N A:ARG68 3.5 7.9 1.0 C A:GLY67 3.6 8.7 1.0 OG A:SER72 3.6 9.3 1.0 CA A:GLY67 3.6 8.5 1.0 C A:THR69 3.7 7.5 1.0 OD1 A:ASN65 3.7 9.2 1.0 N A:GLY67 3.7 7.0 1.0 CA A:THR69 3.9 7.6 1.0 O A:HOH2101 4.0 9.5 1.0 O A:GLY67 4.2 11.7 1.0 CB A:THR69 4.3 6.3 1.0 C A:ARG68 4.3 8.4 1.0 OD1 A:ASP66 4.3 6.1 1.0 CA A:ARG68 4.3 8.4 1.0 N A:PRO70 4.5 8.6 1.0 O A:HOH2043 4.5 45.4 1.0 NA A:NA1136 4.7 6.7 1.0 O A:HOH2106 4.7 37.1 1.0 C A:ASP66 4.8 6.4 1.0 CB A:SER72 4.9 8.9 1.0 OG1 A:THR69 4.9 7.1 1.0 N A:ASP66 4.9 5.1 1.0 O A:HOH2109 4.9 24.4 0.5 CG A:ASN65 4.9 8.5 1.0 CA A:PRO70 4.9 8.8 1.0

Chlorine binding site 2 out of 2 in the Vanadium(IV)-Picolinate Complexed with Lysozyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Vanadium(IV)-Picolinate Complexed with Lysozyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1135 b:15.5 occ:1.00 OH A:TYR23 2.8 6.9 1.0 O A:HOH2041 3.3 15.9 1.0 CZ A:TYR23 3.5 5.3 1.0 CE2 A:TYR23 3.6 5.3 1.0 CA A:GLY104 4.2 7.3 1.0 O A:ARG21 4.6 12.7 1.0 CE1 A:TYR23 4.7 5.1 1.0 O A:HOH2142 4.8 23.8 1.0 N A:GLY104 4.8 9.5 1.0 CD2 A:TYR23 4.8 5.3 1.0

M.F.A.Santos, I.Correia, A.R.Oliveira, E.Garribba, J.C.Pessoa, T.Santos-Silva. Vanadium Complexes As Prospective Therapeutics: Structural Characterization of A V(IV) Lysozyme Adduct Eur.J.Inorg.Chem. V. 21 3293 2014.
ISSN: ISSN 1434-1948
DOI: 10.1002/EJIC.201402408