Sodium in PDB 8aj3: X-Ray Structure of Lysozyme Obtained Upon Reaction with [Vivo(Malt)2] (Structure A)

The structure of X-Ray Structure of Lysozyme Obtained Upon Reaction with [Vivo(Malt)2] (Structure A), PDB code: 8aj3 was solved by M.Paolillo, A.Merlino, G.Ferraro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.37 / 1.13
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.89, 76.89, 38.05, 90, 90, 90
R / Rfree (%)	19.9 / 24.9

The structure of X-Ray Structure of Lysozyme Obtained Upon Reaction with [Vivo(Malt)2] (Structure A) also contains other interesting chemical elements:

Vanadium

(V)

3 atoms

The binding sites of Sodium atom in the X-Ray Structure of Lysozyme Obtained Upon Reaction with [Vivo(Malt)2] (Structure A) (pdb code 8aj3). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the X-Ray Structure of Lysozyme Obtained Upon Reaction with [Vivo(Malt)2] (Structure A), PDB code: 8aj3:

Sodium binding site 1 out of 1 in the X-Ray Structure of Lysozyme Obtained Upon Reaction with [Vivo(Malt)2] (Structure A)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of X-Ray Structure of Lysozyme Obtained Upon Reaction with [Vivo(Malt)2] (Structure A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na201 b:13.4 occ:0.80 O A:SER60 2.2 14.9 1.0 O A:CYS64 2.4 10.6 1.0 O A:HOH355 2.4 13.3 1.0 OG A:SER72 2.4 19.6 1.0 O A:ARG73 2.5 20.6 1.0 O A:HOH390 2.5 21.5 1.0 CB A:SER72 3.3 22.4 1.0 C A:SER60 3.3 12.1 1.0 C A:CYS64 3.5 10.3 1.0 C A:ARG73 3.6 17.8 1.0 CA A:ASN65 3.9 11.2 1.0 CA A:SER60 4.0 11.2 1.0 N A:ARG73 4.1 20.2 1.0 C A:SER72 4.1 22.1 1.0 N A:ASN65 4.1 10.1 1.0 CB A:SER60 4.2 9.8 1.0 CA A:SER72 4.3 19.7 1.0 C A:ARG61 4.4 14.8 1.0 N A:ARG61 4.4 12.0 1.0 O A:ARG61 4.4 17.7 1.0 N A:CYS64 4.4 10.8 1.0 N A:ASN74 4.4 14.0 1.0 CA A:ARG73 4.4 20.0 1.0 O A:SER72 4.5 22.4 1.0 CB A:THR69 4.5 12.3 1.0 O A:HOH323 4.5 21.1 1.0 CA A:ARG61 4.6 14.6 1.0 CA A:CYS64 4.6 9.8 1.0 O A:HOH304 4.6 33.2 1.0 CB A:ASN65 4.6 13.5 1.0 CA A:ASN74 4.6 13.3 1.0 N A:ASP66 4.7 10.2 1.0 CB A:ASN74 4.7 13.3 1.0 N A:TRP62 4.8 12.3 1.0 O A:THR69 4.8 18.2 1.0 C A:ASN65 4.8 9.3 1.0 OD1 A:ASN65 4.9 24.6 1.0 CG2 A:THR69 4.9 12.9 1.0

G.Ferraro, M.Paolillo, G.Sciortino, E.Garribba, A.Merlino. Multiple and Variable Binding of Pharmacologically Active Bis(Maltolato)Oxidovanadium(IV) to Lysozyme. Inorg.Chem. V. 61 16458 2022.
ISSN: ISSN 0020-1669
PubMed: 36205235
DOI: 10.1021/ACS.INORGCHEM.2C02690