Sodium in PDB 7rlr: Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630

All present enzymatic activity of Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630:
3.5.2.6;

The structure of Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630, PDB code: 7rlr was solved by G.Minasov, L.Shuvalova, I.Dubrovska, M.Rosas-Lemus, R.Jedrzejczak, K.J.F.Satchell, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.71 / 1.88
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.534, 93.621, 138.067, 90, 90, 90
R / Rfree (%)	16.8 / 19.8

The structure of Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 also contains other interesting chemical elements:

Chlorine

(Cl)

7 atoms

The binding sites of Sodium atom in the Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 (pdb code 7rlr). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630, PDB code: 7rlr:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 within 5.0Å range: probe atom residue distance (Å) B Occ D:Na301 b:47.7 occ:1.00 O D:HOH530 2.4 44.4 1.0 O D:HOH472 2.4 32.3 1.0 O D:HOH538 2.7 47.1 1.0 O D:THR201 2.7 41.5 1.0 O D:HOH493 2.7 45.4 1.0 O D:GLY199 2.7 40.5 1.0 O D:HOH525 3.6 52.6 1.0 C D:GLY199 3.6 40.6 1.0 NA D:NA302 3.8 43.0 1.0 C D:THR201 3.9 41.8 1.0 O B:HOH639 4.0 35.4 0.5 O D:PHE203 4.1 35.9 1.0 O D:HOH544 4.2 39.4 1.0 CA D:GLY199 4.2 40.6 1.0 O D:HOH419 4.2 35.6 1.0 N D:THR201 4.3 40.4 1.0 N D:ASP200 4.5 39.3 1.0 C D:ASP200 4.7 43.4 1.0 CA D:THR201 4.8 40.8 1.0 CA D:ASN202 4.8 41.6 1.0 N D:ASN202 4.8 41.3 1.0 O B:HOH428 4.8 33.0 1.0 CA D:ASP200 4.9 42.1 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 within 5.0Å range: probe atom residue distance (Å) B Occ D:Na302 b:43.0 occ:1.00 O D:HOH525 2.3 52.6 1.0 O D:HOH538 2.4 47.1 1.0 O D:HOH513 2.4 37.2 1.0 O D:GLY199 2.7 40.5 1.0 O B:HOH536 2.8 45.8 1.0 C D:GLY199 3.6 40.6 1.0 NA D:NA301 3.8 47.7 1.0 OD1 B:ASN147 3.8 35.8 1.0 CA D:GLY199 3.9 40.6 1.0 O B:HOH428 4.1 33.0 1.0 OD2 B:ASP150 4.2 29.1 1.0 O D:HOH530 4.2 44.4 1.0 O D:GLU198 4.5 40.5 1.0 O B:HOH592 4.5 36.0 1.0 N D:ASP200 4.7 39.3 1.0 O B:HOH618 4.8 48.5 1.0 O D:HOH544 4.8 39.4 1.0 O B:HOH639 4.9 35.4 0.5 OD1 D:ASP200 4.9 44.6 1.0 CG B:ASN147 5.0 34.9 1.0

G.Minasov, L.Shuvalova, I.Dubrovska, M.Rosas-Lemus, R.Jedrzejczak, K.J.F.Satchell, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of K83A Mutant of Class D Beta-Lactamase From Clostridium Difficile 630 To Be Published.