Chlorine in PDB 5jvx: X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound

The structure of X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound, PDB code: 5jvx was solved by G.Ferraro, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.03 / 1.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.912, 57.912, 150.136, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 18.7

The structure of X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound also contains other interesting chemical elements:

Gold

(Au)

7 atoms

The binding sites of Chlorine atom in the X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound (pdb code 5jvx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound, PDB code: 5jvx:

Chlorine binding site 1 out of 1 in the X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Adduct Formed in the Reaction Between Thaumatin and A Gold Carbene Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:48.0 occ:1.00 HA2 A:GLY143 2.9 32.1 1.0 O A:HOH731 3.1 37.7 1.0 O A:HOH799 3.1 48.9 1.0 O A:HOH759 3.1 63.0 1.0 H A:GLY144 3.4 25.4 1.0 HG12 A:VAL131 3.6 20.5 1.0 HG11 A:VAL131 3.8 20.5 1.0 CA A:GLY143 3.9 32.0 1.0 HG13 A:VAL131 4.0 20.4 1.0 CG1 A:VAL131 4.0 20.8 1.0 N A:GLY144 4.2 25.5 1.0 HA3 A:GLY143 4.2 32.1 1.0 O A:HOH851 4.4 47.4 1.0 O A:HOH665 4.5 43.6 1.0 C A:GLY143 4.6 28.4 1.0 O A:ALA140 4.7 28.6 1.0 N A:GLY143 4.7 36.2 1.0 H A:GLY143 4.7 35.5 1.0 O A:HOH849 5.0 58.8 1.0

G.Ferraro, C.Gabbiani, A.Merlino. First Crystal Structure For A Gold Carbene-Protein Adduct. Bioconjug.Chem. V. 27 1584 2016.
ISSN: ISSN 1043-1802
PubMed: 27364343
DOI: 10.1021/ACS.BIOCONJCHEM.6B00298