Calcium in PDB 3tqu: Structure of A HAM1 Protein From Coxiella Burnetii

All present enzymatic activity of Structure of A HAM1 Protein From Coxiella Burnetii:
3.6.1.19;

The structure of Structure of A HAM1 Protein From Coxiella Burnetii, PDB code: 3tqu was solved by J.Cheung, M.C.Franklin, M.Rudolph, M.Cassidy, E.Gary, F.Burshteyn, J.Love, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.75 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.528, 86.737, 105.794, 90.00, 92.49, 90.00
R / Rfree (%)	20 / 24.5

The binding sites of Calcium atom in the Structure of A HAM1 Protein From Coxiella Burnetii (pdb code 3tqu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Structure of A HAM1 Protein From Coxiella Burnetii, PDB code: 3tqu:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Structure of A HAM1 Protein From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of A HAM1 Protein From Coxiella Burnetii within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:17.4 occ:1.00 O A:HOH245 2.5 18.8 1.0 OD1 A:ASP69 2.6 14.5 1.0 O A:HOH215 2.6 12.8 0.7 O A:HOH449 2.6 21.6 0.7 O A:HOH934 2.6 21.6 0.6 O A:HOH421 2.7 40.5 1.0 OE1 A:GLU41 2.7 29.4 1.0 OE2 A:GLU41 2.8 24.5 1.0 CD A:GLU41 3.1 25.3 1.0 O A:HOH941 3.3 27.7 1.0 CG A:ASP69 3.5 13.8 1.0 O A:HOH250 3.9 14.5 0.7 OD2 A:ASP69 4.0 15.0 1.0 O A:HOH420 4.4 25.7 0.8 O A:HOH872 4.5 38.3 1.0 NZ A:LYS53 4.5 13.1 1.0 O A:HOH220 4.5 14.8 1.0 CG A:GLU41 4.6 21.5 1.0 O A:HOH942 4.6 41.4 1.0 CB A:ASP69 4.6 9.0 1.0 O A:SER70 4.7 13.1 1.0 N A:SER70 4.9 11.1 1.0 CA A:ASP69 4.9 11.3 1.0

Calcium binding site 2 out of 5 in the Structure of A HAM1 Protein From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of A HAM1 Protein From Coxiella Burnetii within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:51.4 occ:1.00 O B:HOH1011 2.3 24.2 1.0 OD1 B:ASP69 2.6 10.5 1.0 O B:HOH1212 2.9 50.1 1.0 O B:HOH839 3.1 34.7 1.0 OE1 B:GLU41 3.1 45.3 1.0 OE2 B:GLU41 3.1 47.1 1.0 O B:HOH378 3.5 20.0 1.0 CD B:GLU41 3.5 43.9 1.0 CG B:ASP69 3.7 14.0 1.0 OG B:SER86 3.8 37.0 1.0 O B:HOH1123 4.2 41.3 1.0 O B:HOH1019 4.2 33.7 1.0 O B:HOH219 4.2 11.2 0.8 NZ B:LYS53 4.3 19.8 1.0 OD2 B:ASP69 4.3 12.3 1.0 CB B:ASP69 4.7 11.1 1.0 CB B:SER86 4.7 36.9 1.0 O B:SER70 4.7 7.2 1.0 CA B:ASP69 4.7 10.0 1.0 N B:SER70 4.8 9.6 1.0

Calcium binding site 3 out of 5 in the Structure of A HAM1 Protein From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of A HAM1 Protein From Coxiella Burnetii within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca201 b:61.4 occ:1.00 OD1 C:ASP69 2.7 12.8 1.0 O C:HOH835 2.7 11.2 1.0 O C:HOH1012 2.7 36.2 1.0 OE1 C:GLU41 2.8 40.6 1.0 OE2 C:GLU41 2.9 30.9 1.0 O C:HOH389 3.1 18.0 1.0 CD C:GLU41 3.2 33.8 1.0 CG C:ASP69 3.6 13.3 1.0 O C:HOH459 3.9 28.6 0.8 OD2 C:ASP69 4.0 12.4 1.0 OG C:SER86 4.0 34.8 1.0 O C:HOH234 4.3 29.4 1.0 NZ C:LYS53 4.4 22.9 1.0 O C:HOH741 4.5 36.4 0.9 CG C:GLU41 4.6 32.4 1.0 CB C:ASP69 4.7 11.3 1.0 O C:HOH1033 4.7 34.3 0.9 CB C:SER86 5.0 31.8 1.0

Calcium binding site 4 out of 5 in the Structure of A HAM1 Protein From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of A HAM1 Protein From Coxiella Burnetii within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca201 b:23.5 occ:1.00 OD1 D:ASP69 2.4 10.3 1.0 O D:HOH573 2.4 39.2 1.0 O D:HOH247 2.5 14.5 0.9 O D:HOH397 2.7 48.5 1.0 O D:HOH890 2.7 35.9 1.0 OE2 D:GLU41 2.8 32.4 1.0 OE1 D:GLU41 2.8 35.5 1.0 CD D:GLU41 3.2 31.6 1.0 O D:HOH1022 3.2 50.1 1.0 CG D:ASP69 3.5 9.0 1.0 O D:HOH274 3.8 23.1 1.0 OD2 D:ASP69 4.0 12.5 1.0 O D:HOH935 4.1 43.4 1.0 NZ D:LYS53 4.4 19.2 1.0 O D:HOH217 4.5 17.6 1.0 O D:HOH807 4.5 42.7 0.9 O D:SER70 4.6 10.3 1.0 CB D:ASP69 4.6 8.8 1.0 CG D:GLU41 4.7 26.9 1.0 O D:HOH851 4.7 29.9 0.8 N D:SER70 4.8 11.2 1.0 CA D:ASP69 4.8 9.7 1.0 O D:HOH443 4.8 25.6 0.9 OG D:SER86 4.9 29.4 1.0

Calcium binding site 5 out of 5 in the Structure of A HAM1 Protein From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Structure of A HAM1 Protein From Coxiella Burnetii within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca202 b:51.9 occ:1.00 O D:HOH682 2.6 35.1 1.0 O D:HOH215 2.8 13.7 1.0 O C:HOH907 2.9 50.2 1.0 O C:HOH1107 2.9 49.4 1.0 O D:HOH242 3.0 24.3 1.0 O D:HOH351 3.5 34.3 1.0 O D:ALA132 4.1 15.1 1.0 O D:HOH1133 4.7 41.9 1.0 OD2 D:ASP130 4.8 17.3 1.0 OD1 D:ASP130 5.0 15.9 1.0

M.C.Franklin, J.Cheung, M.J.Rudolph, F.Burshteyn, M.Cassidy, E.Gary, B.Hillerich, Z.K.Yao, P.R.Carlier, M.Totrov, J.D.Love. Structural Genomics For Drug Design Against the Pathogen Coxiella Burnetii. Proteins V. 83 2124 2015.
ISSN: ISSN 0887-3585
PubMed: 26033498
DOI: 10.1002/PROT.24841