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Chlorine in PDB 4lfx: X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO6, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers

Enzymatic activity of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO6, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers

All present enzymatic activity of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO6, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers:
3.2.1.17;

Protein crystallography data

The structure of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO6, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers, PDB code: 4lfx was solved by A.Vergara, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.88 / 2.10
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.269, 78.269, 37.208, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 28.1

Other elements in 4lfx:

The structure of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO6, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers also contains other interesting chemical elements:

Gold (Au) 1 atom
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO6, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers (pdb code 4lfx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO6, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers, PDB code: 4lfx:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4lfx

Go back to Chlorine Binding Sites List in 4lfx
Chlorine binding site 1 out of 3 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO6, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers


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 Between Hen Egg White Lysozyme and AUOXO6, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:27.6
occ:1.00
O A:HOH346 2.9 28.8 1.0
N A:THR69 3.0 25.7 1.0
O A:HOH317 3.2 28.6 1.0
N A:ARG68 3.3 24.0 1.0
O A:THR69 3.4 26.7 1.0
O A:HOH407 3.4 33.6 1.0
C A:THR69 3.5 27.1 1.0
C A:GLY67 3.5 22.3 1.0
CA A:GLY67 3.5 20.9 1.0
OG A:SER72 3.6 32.1 1.0
N A:GLY67 3.7 19.1 1.0
CA A:THR69 3.7 25.8 1.0
OD1 A:ASN65 3.9 22.8 1.0
C A:ARG68 4.0 26.4 1.0
OD1 A:ASP66 4.0 18.2 1.0
CB A:THR69 4.1 25.2 1.0
CA A:ARG68 4.1 25.7 1.0
NA A:NA203 4.2 41.0 1.0
N A:PRO70 4.3 28.1 1.0
O A:GLY67 4.3 23.1 1.0
O A:HOH403 4.6 5.2 0.5
C A:ASP66 4.8 18.7 1.0
OG1 A:THR69 4.9 21.5 1.0
CB A:SER72 4.9 30.4 1.0
N A:ASP66 4.9 16.6 1.0
CA A:PRO70 4.9 28.3 1.0

Chlorine binding site 2 out of 3 in 4lfx

Go back to Chlorine Binding Sites List in 4lfx
Chlorine binding site 2 out of 3 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO6, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO6, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:24.2
occ:1.00
OH A:TYR23 2.8 17.2 1.0
O A:HOH304 3.4 11.3 1.0
CZ A:TYR23 3.6 19.6 1.0
CE2 A:TYR23 3.7 18.5 1.0
CA A:GLY104 4.1 25.2 1.0
N A:GLY104 4.7 26.0 1.0
O A:ARG21 4.8 26.2 1.0
CE1 A:TYR23 4.8 19.5 1.0
CD2 A:TYR23 4.9 18.6 1.0

Chlorine binding site 3 out of 3 in 4lfx

Go back to Chlorine Binding Sites List in 4lfx
Chlorine binding site 3 out of 3 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO6, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AUOXO6, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:12.0
occ:0.50
AU A:AU204 2.6 42.5 0.5
O A:HOH338 2.6 55.7 1.0
N A:ILE88 3.6 26.6 1.0
CZ A:PHE3 3.8 18.7 1.0
O A:SER86 3.8 30.3 1.0
CA A:ASP87 3.9 27.9 1.0
CG1 A:ILE88 4.0 25.8 1.0
O A:HOH404 4.2 30.2 1.0
C A:ASP87 4.3 25.6 1.0
OD1 A:ASP87 4.3 30.8 1.0
CG2 A:ILE88 4.3 24.6 1.0
CB A:ALA11 4.3 25.6 1.0
O A:HOH368 4.3 33.9 1.0
CE2 A:PHE3 4.4 19.6 1.0
CG A:ASP87 4.5 30.7 1.0
CB A:ILE88 4.6 25.1 1.0
NH2 A:ARG14 4.6 31.3 1.0
CA A:ILE88 4.6 25.2 1.0
C A:SER86 4.7 29.8 1.0
CB A:ASP87 4.8 29.1 1.0
N A:ASP87 4.8 28.6 1.0
NE2 A:HIS15 4.9 28.9 1.0
CE1 A:PHE3 4.9 22.7 1.0

Reference:

L.Messori, F.Scaletti, L.Massai, M.A.Cinellu, C.Gabbiani, A.Vergara, A.Merlino. The Mode of Action of Anticancer Gold-Based Drugs: A Structural Perspective. Chem.Commun.(Camb.) V. 49 10100 2013.
ISSN: ISSN 1359-7345
PubMed: 24045294
DOI: 10.1039/C3CC46400H
Page generated: Sat Dec 12 10:52:45 2020

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