Calcium in PDB 8dj2: Intramolecular Ester Bond-Containing Repeat Domain From Chlamydia Trachomatis Adhesin

The structure of Intramolecular Ester Bond-Containing Repeat Domain From Chlamydia Trachomatis Adhesin, PDB code: 8dj2 was solved by Z.N.Choksi, P.G.Young, C.J.Squire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.95 / 1.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.05, 91.05, 88.752, 90, 90, 90
R / Rfree (%)	17.7 / 21.9

The binding sites of Calcium atom in the Intramolecular Ester Bond-Containing Repeat Domain From Chlamydia Trachomatis Adhesin (pdb code 8dj2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Intramolecular Ester Bond-Containing Repeat Domain From Chlamydia Trachomatis Adhesin, PDB code: 8dj2:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Intramolecular Ester Bond-Containing Repeat Domain From Chlamydia Trachomatis Adhesin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Intramolecular Ester Bond-Containing Repeat Domain From Chlamydia Trachomatis Adhesin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:45.9 occ:0.50 OD1 A:ASP891 2.4 63.8 1.0 O A:VAL893 2.4 46.6 1.0 OD1 A:ASP889 2.4 60.3 1.0 O A:HOH1205 2.4 46.3 1.0 OD1 A:ASP887 2.4 54.4 1.0 OD2 A:ASP895 2.4 45.5 1.0 CG A:ASP889 3.2 63.7 1.0 CG A:ASP891 3.4 64.5 1.0 CG A:ASP895 3.4 53.9 1.0 CG A:ASP887 3.4 54.2 1.0 C A:VAL893 3.5 55.5 1.0 OD2 A:ASP889 3.6 61.7 1.0 CB A:ASP895 3.7 55.8 1.0 OD2 A:ASP891 3.8 81.2 1.0 N A:VAL893 4.0 61.1 1.0 CA A:ASP887 4.0 44.6 1.0 CB A:ASP887 4.1 51.2 1.0 CA A:VAL893 4.1 53.4 1.0 N A:THR888 4.1 53.9 1.0 N A:ASP889 4.1 70.3 1.0 N A:ASP891 4.2 61.7 1.0 OD2 A:ASP887 4.3 56.0 1.0 CB A:VAL893 4.3 49.6 1.0 N A:GLY890 4.3 70.7 1.0 N A:ASP895 4.3 47.9 1.0 CB A:ASP889 4.5 71.6 1.0 C A:ASP887 4.5 45.7 1.0 OD1 A:ASP895 4.5 58.4 1.0 CB A:ASP891 4.5 64.3 1.0 N A:PRO894 4.6 57.1 1.0 C A:PRO894 4.6 49.5 1.0 CA A:ASP895 4.7 49.5 1.0 CA A:ASP889 4.7 70.0 1.0 CA A:ASP891 4.8 56.3 1.0 N A:ASP892 4.8 55.9 1.0 CA A:PRO894 4.8 55.2 1.0 C A:ASP891 4.9 62.3 1.0 C A:ASP889 4.9 79.0 1.0

Calcium binding site 2 out of 3 in the Intramolecular Ester Bond-Containing Repeat Domain From Chlamydia Trachomatis Adhesin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Intramolecular Ester Bond-Containing Repeat Domain From Chlamydia Trachomatis Adhesin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1003 b:44.7 occ:0.50 O B:VAL893 2.4 43.6 1.0 OD1 B:ASP891 2.4 56.4 1.0 OD2 B:ASP895 2.4 43.7 1.0 OD1 B:ASP889 2.4 57.7 1.0 OD1 B:ASP887 2.4 46.9 1.0 O B:HOH1176 2.4 54.7 1.0 CG B:ASP891 3.2 58.2 1.0 CG B:ASP889 3.4 62.0 1.0 CG B:ASP895 3.4 48.7 1.0 CG B:ASP887 3.5 47.9 1.0 OD2 B:ASP891 3.5 58.2 1.0 C B:VAL893 3.5 45.3 1.0 CB B:ASP895 3.7 50.8 1.0 OD2 B:ASP889 3.8 67.0 1.0 N B:VAL893 4.0 46.8 1.0 CA B:ASP887 4.0 44.3 1.0 CB B:ASP887 4.1 44.0 1.0 CA B:VAL893 4.1 45.8 1.0 N B:ASP889 4.2 63.5 1.0 CB B:VAL893 4.2 49.2 1.0 N B:THR888 4.2 52.3 1.0 N B:ASP891 4.3 56.6 1.0 N B:ASP895 4.4 40.7 1.0 CB B:ASP891 4.5 60.9 1.0 N B:GLY890 4.5 59.5 1.0 OD2 B:ASP887 4.5 42.4 1.0 C B:ASP887 4.5 48.6 1.0 OD1 B:ASP895 4.5 49.0 1.0 C B:PRO894 4.6 40.0 1.0 CB B:ASP889 4.6 62.5 1.0 N B:PRO894 4.6 43.2 1.0 CA B:ASP895 4.7 44.1 1.0 CA B:ASP889 4.7 59.9 1.0 CA B:ASP891 4.8 53.9 1.0 N B:ASP892 4.8 47.9 1.0 C B:ASP889 4.9 55.6 1.0 CA B:PRO894 4.9 38.9 1.0 C B:ASP891 4.9 48.4 1.0 O B:PRO894 4.9 42.7 1.0

Calcium binding site 3 out of 3 in the Intramolecular Ester Bond-Containing Repeat Domain From Chlamydia Trachomatis Adhesin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Intramolecular Ester Bond-Containing Repeat Domain From Chlamydia Trachomatis Adhesin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1004 b:34.2 occ:0.50 OG B:SER909 2.4 34.1 1.0 O B:THR778 2.4 30.8 1.0 O B:HOH1166 2.4 31.6 1.0 O B:HOH1116 2.4 39.3 1.0 CB B:SER909 3.2 30.2 1.0 C B:THR778 3.5 24.1 1.0 OG1 B:THR779 3.6 33.0 1.0 O B:HOH1127 3.8 51.3 1.0 N B:THR778 3.8 27.8 1.0 OD2 B:ASP907 4.3 31.2 1.0 CA B:THR778 4.3 27.4 1.0 N B:THR779 4.3 23.5 1.0 O B:HOH1245 4.4 36.0 1.0 OD1 B:ASP907 4.4 30.7 1.0 CB B:ALA777 4.5 31.0 1.0 CA B:THR779 4.5 24.5 1.0 CA B:SER909 4.6 24.2 1.0 CB B:THR779 4.7 30.4 1.0 C B:ALA777 4.7 27.7 1.0 O B:HOH1181 4.7 31.1 1.0 CG B:ASP907 4.8 26.0 1.0 C B:SER909 4.8 22.5 1.0 CA B:ALA777 5.0 27.8 1.0 O B:SER909 5.0 26.7 1.0 OG1 B:THR778 5.0 28.2 1.0

Z.N.Choksi, P.G.Young, C.J.Squire. Intramolecular Ester Bond-Containing Repeat Domain From Chlamydia Trachomatis Adhesin To Be Published.