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Chlorine in PDB 4lfp: X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and A Homoleptic Gold(I) Complex with the Saccharynate Ligand

Enzymatic activity of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and A Homoleptic Gold(I) Complex with the Saccharynate Ligand

All present enzymatic activity of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and A Homoleptic Gold(I) Complex with the Saccharynate Ligand:
3.2.1.17;

Protein crystallography data

The structure of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and A Homoleptic Gold(I) Complex with the Saccharynate Ligand, PDB code: 4lfp 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) 21.65 / 1.72
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.046, 78.046, 37.317, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 23.6

Other elements in 4lfp:

The structure of X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and A Homoleptic Gold(I) Complex with the Saccharynate Ligand 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 A Homoleptic Gold(I) Complex with the Saccharynate Ligand (pdb code 4lfp). 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 A Homoleptic Gold(I) Complex with the Saccharynate Ligand, PDB code: 4lfp:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4lfp

Go back to Chlorine Binding Sites List in 4lfp
Chlorine binding site 1 out of 3 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and A Homoleptic Gold(I) Complex with the Saccharynate Ligand


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 A Homoleptic Gold(I) Complex with the Saccharynate Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:26.9
occ:0.60
 AU A:AU301 2.4 41.7 0.6
O A:HOH448 3.0 47.5 1.0
N A:ILE88 3.4 22.9 1.0
CA A:ASP87 3.7 24.4 1.0
CZ A:PHE3 3.8 24.8 1.0
O A:SER86 3.9 26.0 1.0
CG1 A:ILE88 4.0 24.0 1.0
C A:ASP87 4.1 22.1 1.0
CB A:ALA11 4.2 24.1 1.0
CG A:ASP87 4.3 29.7 1.0
CG2 A:ILE88 4.3 22.5 1.0
CE2 A:PHE3 4.3 22.2 1.0
OD1 A:ASP87 4.4 29.7 1.0
OD2 A:ASP87 4.5 32.5 1.0
CB A:ASP87 4.5 26.5 1.0
CB A:ILE88 4.5 21.3 1.0
CA A:ILE88 4.5 22.1 1.0
NH2 A:ARG14 4.6 39.5 1.0
CD1 A:ILE88 4.6 24.6 1.0
N A:ASP87 4.6 23.1 1.0
O A:HOH465 4.7 39.0 1.0
C A:SER86 4.7 24.9 1.0
NE2 A:HIS15 4.7 31.0 1.0
CE1 A:PHE3 5.0 24.3 1.0

Chlorine binding site 2 out of 3 in 4lfp

Go back to Chlorine Binding Sites List in 4lfp
Chlorine binding site 2 out of 3 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and A Homoleptic Gold(I) Complex with the Saccharynate Ligand


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 A Homoleptic Gold(I) Complex with the Saccharynate Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:24.4
occ:1.00
 OH A:TYR23 3.1 16.6 1.0
O A:HOH424 3.4 22.1 1.0
CZ A:TYR23 3.8 19.7 1.0
CE2 A:TYR23 3.8 18.6 1.0
CA A:GLY104 4.2 19.5 1.0
O A:ARG21 4.5 20.9 1.0
N A:GLY104 4.8 18.6 1.0
CE1 A:TYR23 4.9 19.2 1.0

Chlorine binding site 3 out of 3 in 4lfp

Go back to Chlorine Binding Sites List in 4lfp
Chlorine binding site 3 out of 3 in the X-Ray Structure of the Adduct Between Hen Egg White Lysozyme and A Homoleptic Gold(I) Complex with the Saccharynate Ligand


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 A Homoleptic Gold(I) Complex with the Saccharynate Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:28.8
occ:1.00
 O A:HOH447 3.0 35.3 1.0
O A:HOH414 3.2 17.7 1.0
N A:THR69 3.2 23.7 1.0
O A:HOH505 3.3 38.5 1.0
O A:THR69 3.3 24.7 1.0
N A:ARG68 3.6 22.3 1.0
OD1 A:ASN65 3.6 22.6 1.0
C A:GLY67 3.6 23.2 1.0
C A:THR69 3.6 24.5 1.0
CA A:GLY67 3.7 20.8 1.0
N A:GLY67 3.8 20.0 1.0
OG A:SER72 3.9 29.8 1.0
CA A:THR69 3.9 22.8 1.0
O A:HOH419 4.0 23.3 1.0
C A:ARG68 4.2 24.8 1.0
CB A:THR69 4.2 18.9 1.0
O A:GLY67 4.2 23.8 1.0
CA A:ARG68 4.3 24.1 1.0
OD1 A:ASP66 4.3 16.2 1.0
N A:PRO70 4.4 25.8 1.0
NA A:NA305 4.7 29.7 1.0
CG A:ASN65 4.8 23.6 1.0
OG1 A:THR69 4.8 17.7 1.0
O A:HOH425 4.8 12.3 0.5
C A:ASP66 4.9 19.8 1.0
O A:HOH469 4.9 42.4 1.0
N A:ASP66 4.9 18.6 1.0
CA A:PRO70 4.9 26.9 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: Sun Jul 21 18:53:20 2024

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