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Arsenic in PDB 5nj1: The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme and Arsenoplatin-1

Enzymatic activity of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme and Arsenoplatin-1

All present enzymatic activity of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme and Arsenoplatin-1:
3.2.1.17;

Protein crystallography data

The structure of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme and Arsenoplatin-1, PDB code: 5nj1 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) 56.22 / 1.85
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.512, 79.512, 35.906, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 24.2

Other elements in 5nj1:

The structure of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme and Arsenoplatin-1 also contains other interesting chemical elements:

Platinum (Pt) 1 atom
Sodium (Na) 1 atom

Arsenic Binding Sites:

The binding sites of Arsenic atom in the The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme and Arsenoplatin-1 (pdb code 5nj1). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme and Arsenoplatin-1, PDB code: 5nj1:

Arsenic binding site 1 out of 1 in 5nj1

Go back to Arsenic Binding Sites List in 5nj1
Arsenic binding site 1 out of 1 in the The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme and Arsenoplatin-1


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of The X-Ray Structure of the Adduct Formed in the Reaction Between Hen Egg White Lysozyme and Arsenoplatin-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As208

b:25.6
occ:0.60
AS1 A:A6R208 0.0 25.6 0.6
O4 A:A6R208 1.7 27.5 0.6
O3 A:A6R208 1.7 25.5 0.6
O2 A:A6R208 2.0 23.0 0.6
O1 A:A6R208 2.0 27.7 0.6
PT1 A:A6R208 2.2 24.3 0.6
C3 A:A6R208 2.8 28.1 0.6
C1 A:A6R208 2.9 30.4 0.6
N2 A:A6R208 2.9 25.9 0.6
N1 A:A6R208 3.0 29.7 0.6
O A:HOH315 3.6 49.1 1.0
OD2 A:ASP87 3.8 40.9 1.0
C4 A:A6R208 4.2 29.4 0.6
NH2 A:ARG14 4.2 42.8 1.0
C2 A:A6R208 4.3 32.2 0.6
OG1 A:THR89 4.3 37.9 1.0
NE2 A:HIS15 4.3 32.8 1.0
CG A:ASP87 4.5 43.0 1.0
OD1 A:ASP87 4.5 39.2 1.0
NE A:ARG14 4.7 48.2 1.0
CZ A:ARG14 4.8 45.5 1.0

Reference:

D.Miodragovic, A.Merlino, E.P.Swindell, A.Bogachkov, R.W.Ahn, S.Abuhadba, G.Ferraro, T.Marzo, A.P.Mazar, L.Messori, T.V.O'halloran. Arsenoplatin-1 Is A Dual Pharmacophore Anticancer Agent. J.Am.Chem.Soc. V. 141 6453 2019.
ISSN: ESSN 1520-5126
PubMed: 30943017
DOI: 10.1021/JACS.8B13681
Page generated: Tue Oct 27 16:55:51 2020

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