Sodium in PDB 7rji: Bthtx-II Variant B, From Bothrops Jararacussu Venom, Complexed with Stearic Acid

All present enzymatic activity of Bthtx-II Variant B, From Bothrops Jararacussu Venom, Complexed with Stearic Acid:
3.1.1.4;

The structure of Bthtx-II Variant B, From Bothrops Jararacussu Venom, Complexed with Stearic Acid, PDB code: 7rji was solved by R.J.Borges, M.R.M.Fontes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.63 / 1.71
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	83.036, 83.036, 124.83, 90, 90, 120
R / Rfree (%)	19.8 / 22.4

The binding sites of Sodium atom in the Bthtx-II Variant B, From Bothrops Jararacussu Venom, Complexed with Stearic Acid (pdb code 7rji). 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 Bthtx-II Variant B, From Bothrops Jararacussu Venom, Complexed with Stearic Acid, PDB code: 7rji:

Sodium binding site 1 out of 1 in the Bthtx-II Variant B, From Bothrops Jararacussu Venom, Complexed with Stearic Acid


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Bthtx-II Variant B, From Bothrops Jararacussu Venom, Complexed with Stearic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:25.4 occ:1.00 O A:TYR27 2.3 26.0 1.0 OD2 A:ASP48 2.3 34.2 1.0 O A:GLY31 2.3 27.2 1.0 O A:GLY29 2.4 30.8 1.0 CG A:ASP48 3.0 37.8 1.0 OD1 A:ASP48 3.1 46.5 1.0 O A:HOH310 3.1 50.1 1.0 C A:GLY31 3.2 32.0 1.0 O A:HOH326 3.3 44.0 1.0 N A:GLY31 3.3 28.0 1.0 C A:TYR27 3.4 23.1 1.0 C A:GLY29 3.4 29.9 1.0 CA A:GLY31 3.5 31.0 1.0 N A:GLY29 3.8 28.0 1.0 C A:TRP30 3.9 28.6 1.0 CA A:TYR27 4.1 22.4 1.0 O A:HOH329 4.1 32.2 1.0 CA A:GLY29 4.3 30.3 1.0 N A:TRP30 4.3 29.9 1.0 CA A:TRP30 4.4 28.8 1.0 CB A:TYR27 4.4 22.1 1.0 N A:GLY32 4.4 28.5 1.0 N A:CYS28 4.5 24.4 1.0 CB A:ASP48 4.5 29.4 1.0 O A:TRP30 4.6 31.1 1.0 O A:CYS44 4.6 25.9 1.0 CD2 A:TYR27 4.6 26.0 1.0 CA A:CYS28 4.7 25.8 1.0 C A:CYS28 4.7 29.7 1.0 CA A:GLY32 5.0 25.1 1.0 O2 A:STE201 5.0 46.7 0.5

R.J.Borges, G.H.M.Salvador, H.B.Campanelli, D.C.Pimenta, M.De Oliveira Neto, I.Uson, M.R.M.Fontes. Bthtx-II From Bothrops Jararacussu Venom Has Variants with Different Oligomeric Assemblies: An Example of Snake Venom Phospholipases A 2 Versatility. Int.J.Biol.Macromol. V. 191 255 2021.
ISSN: ISSN 0141-8130
PubMed: 34547312
DOI: 10.1016/J.IJBIOMAC.2021.09.083