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Chlorine in PDB 4lgk: X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AU2PHEN, 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 AU2PHEN, 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 AU2PHEN, 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 AU2PHEN, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers, PDB code: 4lgk 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) 25.35 / 1.96
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.435, 77.435, 37.191, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 30

Other elements in 4lgk:

The structure of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AU2PHEN, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers also contains other interesting chemical elements:

Gold (Au) 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 AU2PHEN, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers (pdb code 4lgk). 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 AU2PHEN, A Dinuclear Gold(III) Complex with -Dioxo Bridges Linking the Two Metal Centers, PDB code: 4lgk:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4lgk

Go back to Chlorine Binding Sites List in 4lgk
Chlorine binding site 1 out of 3 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AU2PHEN, 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 AU2PHEN, 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:Cl302

b:19.0
occ:0.40
AU A:AU301 2.4 49.3 0.4
CD1 A:ILE88 3.1 23.9 0.6
N A:ILE88 3.5 23.1 0.4
N A:ILE88 3.5 23.3 0.6
CZ A:PHE3 3.7 25.4 1.0
O A:SER86 3.8 30.8 1.0
NH2 A:ARG14 3.8 27.1 1.0
CA A:ASP87 3.8 25.2 1.0
O A:HOH479 3.9 32.3 1.0
CB A:ALA11 4.1 22.6 1.0
CG1 A:ILE88 4.1 22.6 0.4
C A:ASP87 4.2 24.2 1.0
CE2 A:PHE3 4.2 22.8 1.0
CG2 A:ILE88 4.2 22.7 0.4
CG1 A:ILE88 4.3 24.8 0.6
CG2 A:ILE88 4.4 23.4 0.6
CB A:ILE88 4.5 22.4 0.4
O A:HOH469 4.5 38.6 1.0
CA A:ILE88 4.6 22.8 0.4
CB A:ILE88 4.6 23.1 0.6
CB A:ASP87 4.6 24.7 1.0
CA A:ILE88 4.6 23.4 0.6
OD1 A:ASP87 4.6 22.9 1.0
C A:SER86 4.6 29.5 1.0
CG A:ASP87 4.7 25.7 1.0
N A:ASP87 4.7 26.7 1.0
CD1 A:ILE88 4.8 17.9 0.4
CE1 A:PHE3 4.8 26.3 1.0
O A:HOH488 4.9 20.3 1.0

Chlorine binding site 2 out of 3 in 4lgk

Go back to Chlorine Binding Sites List in 4lgk
Chlorine binding site 2 out of 3 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AU2PHEN, 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 AU2PHEN, 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:Cl303

b:18.4
occ:1.00
OH A:TYR23 3.0 16.1 1.0
CZ A:TYR23 3.6 19.0 1.0
CE2 A:TYR23 3.9 17.2 1.0
CA A:GLY104 4.4 17.8 1.0
O A:ARG21 4.5 20.0 1.0
CE1 A:TYR23 4.7 17.9 1.0
N A:GLY104 4.9 18.1 1.0

Chlorine binding site 3 out of 3 in 4lgk

Go back to Chlorine Binding Sites List in 4lgk
Chlorine binding site 3 out of 3 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and AU2PHEN, 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 AU2PHEN, 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:Cl304

b:34.8
occ:1.00
O A:HOH499 2.5 31.4 1.0
O A:THR69 3.2 29.1 1.0
N A:ARG68 3.2 23.7 1.0
N A:THR69 3.2 24.7 1.0
O A:HOH425 3.4 26.4 1.0
OG A:SER72 3.4 31.8 1.0
C A:GLY67 3.5 23.9 1.0
CA A:GLY67 3.5 22.6 1.0
N A:GLY67 3.6 21.0 1.0
OD1 A:ASN65 3.7 19.9 1.0
C A:THR69 3.8 27.9 1.0
CA A:THR69 4.0 25.1 1.0
C A:ARG68 4.1 24.2 1.0
CA A:ARG68 4.1 24.0 1.0
O A:HOH439 4.2 27.7 1.0
OD1 A:ASP66 4.3 22.6 1.0
CB A:THR69 4.3 23.8 1.0
O A:GLY67 4.4 26.0 1.0
CB A:SER72 4.6 33.9 1.0
C A:ASP66 4.7 20.0 1.0
N A:PRO70 4.8 30.4 1.0
OG1 A:THR69 4.8 16.3 1.0
CG A:ASN65 4.8 21.8 1.0
N A:ASP66 4.9 19.5 1.0
O A:HOH497 4.9 26.3 0.5

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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