Calcium in PDB 2xwg: Crystal Structure of Sortase C-1 From Actinomyces Oris (Formerly Actinomyces Naeslundii)

The structure of Crystal Structure of Sortase C-1 From Actinomyces Oris (Formerly Actinomyces Naeslundii), PDB code: 2xwg was solved by K.Persson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.67 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.070, 108.230, 143.200, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.4

The binding sites of Calcium atom in the Crystal Structure of Sortase C-1 From Actinomyces Oris (Formerly Actinomyces Naeslundii) (pdb code 2xwg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Sortase C-1 From Actinomyces Oris (Formerly Actinomyces Naeslundii), PDB code: 2xwg:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Sortase C-1 From Actinomyces Oris (Formerly Actinomyces Naeslundii)


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 Sortase C-1 From Actinomyces Oris (Formerly Actinomyces Naeslundii) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1286 b:44.8 occ:1.00 O A:PRO130 2.5 37.5 1.0 O A:GLU133 2.7 41.0 1.0 OG1 A:THR173 2.7 32.2 1.0 O A:HOH2003 2.8 45.5 1.0 O A:HOH2005 2.8 41.7 1.0 O A:THR173 2.9 28.2 1.0 C A:THR173 3.4 31.8 1.0 CB A:THR173 3.6 29.2 1.0 C A:PRO130 3.6 39.6 1.0 C A:GLU133 3.7 47.4 1.0 CA A:THR173 4.1 28.2 1.0 N A:ASP174 4.1 32.9 1.0 CB A:GLU133 4.2 49.5 1.0 CA A:PRO130 4.3 38.6 1.0 CA A:GLU133 4.3 48.1 1.0 CA A:ASP174 4.4 36.9 1.0 N A:GLU133 4.4 45.8 1.0 CD2 B:HIS164 4.5 37.1 1.0 O A:HOH2018 4.6 36.0 1.0 NE2 B:HIS164 4.6 37.3 1.0 N A:THR173 4.7 26.6 1.0 N A:SER134 4.7 47.2 1.0 N A:TRP131 4.7 36.3 1.0 CA A:SER134 4.8 46.4 1.0 CG A:GLU133 4.9 56.3 1.0 O A:ASP129 4.9 40.1 1.0 CA A:TRP131 5.0 36.1 1.0 CG2 A:THR173 5.0 26.7 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Sortase C-1 From Actinomyces Oris (Formerly Actinomyces Naeslundii)


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 Sortase C-1 From Actinomyces Oris (Formerly Actinomyces Naeslundii) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1287 b:72.5 occ:1.00 O A:HIS147 2.7 53.4 1.0 OE2 A:GLU111 2.8 57.9 1.0 OD1 A:ASP150 2.9 49.5 1.0 CD A:GLU111 3.1 54.2 1.0 OE1 A:GLU111 3.1 58.8 1.0 O A:HOH2006 3.7 50.4 1.0 C A:HIS147 3.9 52.7 1.0 CG A:ASP150 4.0 51.3 1.0 CG A:GLU111 4.2 55.5 1.0 CA A:GLU148 4.5 38.0 1.0 N A:MET149 4.5 41.1 1.0 N A:ASP150 4.6 39.3 1.0 N A:GLU148 4.7 38.5 1.0 OD2 A:ASP150 4.7 52.2 1.0 C A:GLU148 4.7 35.7 1.0 CA A:HIS147 4.8 55.0 1.0 CB A:ASP150 4.9 45.0 1.0 CB A:HIS147 5.0 58.3 1.0 OE1 A:GLU148 5.0 43.6 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Sortase C-1 From Actinomyces Oris (Formerly Actinomyces Naeslundii)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Sortase C-1 From Actinomyces Oris (Formerly Actinomyces Naeslundii) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1288 b:71.3 occ:1.00 OE2 B:GLU111 2.7 43.3 1.0 O B:HIS147 2.8 35.6 1.0 OE1 B:GLU111 3.2 40.7 1.0 CD B:GLU111 3.2 40.3 1.0 OD1 B:ASP150 3.3 34.9 1.0 O B:HOH2018 3.7 30.6 1.0 O B:HOH2015 3.9 31.8 1.0 C B:HIS147 3.9 36.6 1.0 CG B:ASP150 4.3 39.2 1.0 CA B:GLU148 4.4 29.6 1.0 N B:MET149 4.4 30.3 1.0 N B:GLU148 4.6 32.3 1.0 C B:GLU148 4.6 33.5 1.0 CG B:GLU111 4.6 35.0 1.0 N B:ASP150 4.7 31.2 1.0 OG B:SER114 4.9 38.7 1.0 OE1 B:GLU148 4.9 31.7 1.0 OD2 B:ASP150 5.0 47.3 1.0 O B:HOH2005 5.0 43.5 1.0 CA B:HIS147 5.0 36.3 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Sortase C-1 From Actinomyces Oris (Formerly Actinomyces Naeslundii)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Sortase C-1 From Actinomyces Oris (Formerly Actinomyces Naeslundii) within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1286 b:66.9 occ:1.00 O C:PRO130 2.8 49.3 1.0 O C:HOH2021 2.8 39.1 1.0 O C:HOH2018 2.9 42.7 1.0 O C:THR173 2.9 37.8 1.0 O C:HOH2020 3.2 44.7 1.0 O C:GLU133 3.4 82.2 1.0 C C:GLU133 3.8 80.4 1.0 C C:PRO130 3.9 44.2 1.0 C C:THR173 4.0 41.4 1.0 N C:SER175 4.1 32.3 1.0 CA C:ASP174 4.1 44.1 1.0 OG C:SER175 4.2 39.8 1.0 O C:TRP131 4.2 46.0 1.0 C C:ASP174 4.4 42.5 1.0 CA C:TRP131 4.4 41.5 1.0 OE1 C:GLU133 4.4 79.2 1.0 N C:ASP174 4.5 45.0 1.0 C C:TRP131 4.5 43.9 1.0 N C:TRP131 4.6 41.8 1.0 N C:GLU133 4.7 73.6 1.0 OG1 C:THR173 4.8 33.3 1.0 CA C:GLU133 4.8 77.2 1.0 CA C:SER175 4.9 34.4 1.0 CA C:PRO130 5.0 38.4 1.0

K.Persson, K.Persson. N/A N/A.
ISSN: ISSN 0907-4449
PubMed: 21358052
DOI: 10.1107/S0907444911004215