Calcium in PDB 6pwq: Crystal Structure of Levansucrase From Bacillus Subtilis Mutant S164A at 2.6 A

The structure of Crystal Structure of Levansucrase From Bacillus Subtilis Mutant S164A at 2.6 A, PDB code: 6pwq was solved by A.Diaz-Vilchis, M.E.Rodriguez-Alegria, M.E.Ortiz-Soto, E.Rudino-Pinera, A.Lopez-Munguia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.98 / 2.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	109.535, 109.535, 204.468, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.9

The binding sites of Calcium atom in the Crystal Structure of Levansucrase From Bacillus Subtilis Mutant S164A at 2.6 A (pdb code 6pwq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Levansucrase From Bacillus Subtilis Mutant S164A at 2.6 A, PDB code: 6pwq:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Levansucrase From Bacillus Subtilis Mutant S164A at 2.6 A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Levansucrase From Bacillus Subtilis Mutant S164A at 2.6 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:44.9 occ:1.00 OD1 A:ASN310 2.3 41.1 1.0 OE1 A:GLN272 2.3 49.8 1.0 OD1 A:ASP241 2.4 48.5 1.0 O A:LEU308 2.5 39.8 1.0 O A:HOH631 2.5 37.5 1.0 OD1 A:ASP339 2.5 42.9 1.0 OD2 A:ASP339 2.6 40.9 1.0 CG A:ASP339 2.9 43.8 1.0 CG A:ASP241 3.2 46.0 1.0 OD2 A:ASP241 3.4 45.7 1.0 CG A:ASN310 3.5 45.3 1.0 CD A:GLN272 3.5 48.3 1.0 C A:LEU308 3.7 44.8 1.0 ND2 A:ASN264 3.8 40.8 1.0 N A:ASN310 4.1 41.0 1.0 ND2 A:ASN310 4.2 45.3 1.0 NE2 A:GLN226 4.2 44.5 1.0 NE2 A:GLN272 4.2 47.6 1.0 O A:ASN242 4.2 42.4 1.0 CB A:ASP339 4.4 40.9 1.0 CA A:LEU308 4.4 43.1 1.0 N A:ASN242 4.5 42.8 1.0 CG A:ASN264 4.5 43.4 1.0 CB A:GLN272 4.5 43.9 1.0 CB A:ASN310 4.6 42.9 1.0 OE1 A:GLN226 4.6 46.7 1.0 CG A:GLN272 4.6 48.1 1.0 CB A:LEU308 4.6 41.5 1.0 CB A:ASP241 4.6 44.9 1.0 N A:ALA309 4.7 44.5 1.0 CD A:GLN226 4.8 47.8 1.0 C A:ALA309 4.8 42.0 1.0 CA A:ASN310 4.8 42.7 1.0 CA A:ALA309 4.8 43.0 1.0 CB A:ASN264 4.8 41.1 1.0 C A:ASN242 4.9 42.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Levansucrase From Bacillus Subtilis Mutant S164A at 2.6 A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Levansucrase From Bacillus Subtilis Mutant S164A at 2.6 A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca501 b:36.2 occ:1.00 OE1 B:GLN272 2.2 41.6 1.0 OD1 B:ASP241 2.3 40.8 1.0 OD1 B:ASN310 2.4 37.6 1.0 O B:LEU308 2.5 33.0 1.0 O B:HOH621 2.5 32.1 1.0 OD1 B:ASP339 2.6 36.5 1.0 OD2 B:ASP339 2.6 40.2 1.0 CG B:ASP339 3.0 37.2 1.0 CG B:ASP241 3.3 42.7 1.0 CD B:GLN272 3.4 39.4 1.0 CG B:ASN310 3.5 39.8 1.0 OD2 B:ASP241 3.5 41.8 1.0 C B:LEU308 3.7 36.6 1.0 ND2 B:ASN264 4.0 34.8 1.0 O B:ASN242 4.1 35.4 1.0 N B:ASN310 4.1 35.9 1.0 NE2 B:GLN272 4.1 36.1 1.0 ND2 B:ASN310 4.2 40.3 1.0 N B:ASN242 4.4 38.7 1.0 CA B:LEU308 4.4 37.7 1.0 CB B:ASP339 4.4 40.6 1.0 CB B:GLN272 4.5 39.2 1.0 CG B:ASN264 4.5 37.7 1.0 CG B:GLN272 4.5 37.9 1.0 NE2 B:GLN226 4.5 35.9 1.0 CB B:LEU308 4.5 38.8 1.0 CB B:ASN310 4.6 39.4 1.0 CB B:ASP241 4.6 43.3 1.0 N B:ALA309 4.6 33.5 1.0 CA B:ALA309 4.8 35.7 1.0 CB B:ASN264 4.8 37.7 1.0 C B:ALA309 4.8 40.5 1.0 CA B:ASN310 4.8 36.3 1.0 C B:ASN242 4.8 36.6 1.0 OE1 B:GLN226 4.9 39.1 1.0 O B:HOH659 4.9 38.6 1.0 CA B:ASP241 4.9 41.5 1.0

M.E.Ortiz-Soto, J.R.Porras-Dominguez, M.E.Rodriguez-Alegria, L.A.Morales-Moreno, A.Diaz-Vilchis, E.Rudino-Pinera, N.E.Beltran-Hernandez, H.M.Rivera, J.Seibel, A.Lopez Munguia. Implications of the Mutation S164A on Bacillus Subtilis Levansucrase Product Specificity and Insights Into Protein Interactions Acting Upon Levan Synthesis. Int.J.Biol.Macromol. V. 161 898 2020.
ISSN: ISSN 0141-8130
PubMed: 32553967
DOI: 10.1016/J.IJBIOMAC.2020.06.114