Calcium in PDB 8fj9: Structure of the Catalytic Domain of Streptococcus Mutans Gtfb in Tetragonal Space Group P4322

All present enzymatic activity of Structure of the Catalytic Domain of Streptococcus Mutans Gtfb in Tetragonal Space Group P4322:
2.4.1.5;

The structure of Structure of the Catalytic Domain of Streptococcus Mutans Gtfb in Tetragonal Space Group P4322, PDB code: 8fj9 was solved by N.Schormann, C.Deivanayagam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.70 / 2.50
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	150.13, 150.13, 302.783, 90, 90, 90
R / Rfree (%)	21.2 / 24.1

The structure of Structure of the Catalytic Domain of Streptococcus Mutans Gtfb in Tetragonal Space Group P4322 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Structure of the Catalytic Domain of Streptococcus Mutans Gtfb in Tetragonal Space Group P4322 (pdb code 8fj9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of the Catalytic Domain of Streptococcus Mutans Gtfb in Tetragonal Space Group P4322, PDB code: 8fj9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the Catalytic Domain of Streptococcus Mutans Gtfb in Tetragonal Space Group P4322


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Catalytic Domain of Streptococcus Mutans Gtfb in Tetragonal Space Group P4322 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1101 b:52.2 occ:1.00 O A:ASN455 2.2 46.4 1.0 OE2 A:GLU405 2.3 52.2 1.0 OD1 A:ASP411 2.4 53.1 1.0 O A:GLU405 2.4 44.7 1.0 O A:HOH1211 2.4 39.1 1.0 OD1 A:ASP933 2.4 39.8 1.0 OD2 A:ASP411 2.8 49.1 1.0 CG A:ASP411 2.9 49.4 1.0 CD A:GLU405 3.3 52.0 1.0 C A:GLU405 3.4 42.6 1.0 C A:ASN455 3.5 44.5 1.0 CG A:ASP933 3.6 43.4 1.0 CG A:GLU405 3.8 48.9 1.0 CA A:GLU405 3.9 42.9 1.0 O A:ASP933 4.2 47.7 1.0 OD2 A:ASP933 4.3 44.1 1.0 N A:VAL456 4.3 42.1 1.0 CB A:ASN455 4.4 43.0 1.0 CA A:VAL456 4.4 42.3 1.0 CA A:ASN455 4.4 45.1 1.0 CB A:ASP411 4.4 48.1 1.0 OE1 A:GLU405 4.4 52.1 1.0 CG1 A:VAL456 4.4 39.5 1.0 CB A:GLU405 4.5 47.0 1.0 O A:VAL412 4.5 43.2 1.0 N A:PHE406 4.5 43.2 1.0 CB A:ASP933 4.7 43.0 1.0 ND2 A:ASN1023 4.8 45.7 1.0 CA A:ASP933 4.8 44.1 1.0 C A:ASP933 4.9 46.9 1.0 CA A:PHE406 4.9 43.4 1.0 CB A:VAL456 5.0 41.2 1.0

Calcium binding site 2 out of 2 in the Structure of the Catalytic Domain of Streptococcus Mutans Gtfb in Tetragonal Space Group P4322


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Catalytic Domain of Streptococcus Mutans Gtfb in Tetragonal Space Group P4322 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1101 b:54.1 occ:1.00 OD1 B:ASP411 2.3 51.1 1.0 O B:ASN455 2.3 46.0 1.0 OE2 B:GLU405 2.4 57.4 1.0 O B:GLU405 2.4 48.0 1.0 OD1 B:ASP933 2.4 40.2 1.0 O B:HOH1242 2.6 36.4 1.0 OD2 B:ASP411 2.8 52.2 1.0 CG B:ASP411 2.9 51.7 1.0 CD B:GLU405 3.4 58.9 1.0 C B:GLU405 3.5 48.0 1.0 C B:ASN455 3.5 44.0 1.0 CG B:ASP933 3.6 40.9 1.0 CG B:GLU405 3.8 58.0 1.0 CA B:GLU405 4.0 50.9 1.0 O B:ASP933 4.1 46.2 1.0 OD2 B:ASP933 4.2 41.3 1.0 CB B:ASP411 4.4 50.9 1.0 CB B:ASN455 4.4 43.5 1.0 N B:VAL456 4.4 45.8 1.0 CA B:VAL456 4.4 45.4 1.0 CA B:ASN455 4.4 43.7 1.0 CG1 B:VAL456 4.4 48.8 1.0 O B:VAL412 4.5 49.1 1.0 OE1 B:GLU405 4.5 59.5 1.0 CB B:GLU405 4.5 56.2 1.0 N B:PHE406 4.6 46.0 1.0 O B:HOH1306 4.6 52.6 1.0 CB B:ASP933 4.6 42.1 1.0 CA B:ASP933 4.7 43.0 1.0 ND2 B:ASN1023 4.8 51.3 1.0 C B:ASP933 4.8 44.2 1.0 CA B:PHE406 4.9 46.9 1.0 CA B:ASP411 5.0 49.5 1.0 CB B:VAL456 5.0 46.9 1.0

N.Schormann, M.Patel, L.Thannickal, S.Purushotham, R.Wu, J.L.Mieher, H.Wu, C.Deivanayagam. The Catalytic Domains of Streptococcus Mutans Glucosyltransferases: A Structural Analysis Acta Crystallogr.,Sect.F V. 79 119 2023.
ISSN: ESSN 2053-230X
DOI: 10.1107/S2053230X23003199