Calcium in PDB 4it5: Chaperone Hscb From Vibrio Cholerae

The structure of Chaperone Hscb From Vibrio Cholerae, PDB code: 4it5 was solved by J.Osipiuk, M.Gu, L.Papazisi, W.F.Anderson, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.56 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.430, 100.714, 70.346, 90.00, 90.47, 90.00
R / Rfree (%)	22 / 25.9

The binding sites of Calcium atom in the Chaperone Hscb From Vibrio Cholerae (pdb code 4it5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Chaperone Hscb From Vibrio Cholerae, PDB code: 4it5:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Chaperone Hscb From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Chaperone Hscb From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:62.5 occ:1.00 OE2 B:GLU166 2.4 64.0 1.0 O A:HOH423 2.5 54.4 1.0 O A:HOH414 2.5 48.6 1.0 OE1 A:GLU166 2.5 66.0 1.0 O A:HOH404 2.5 66.5 1.0 OE1 A:GLU163 2.6 51.5 1.0 OE2 A:GLU163 2.6 61.2 1.0 OE1 B:GLU166 2.7 67.6 1.0 CD B:GLU166 2.9 64.8 1.0 CD A:GLU163 2.9 58.6 1.0 CD A:GLU166 3.3 68.0 1.0 OE2 A:GLU166 3.5 72.9 1.0 O B:HOH315 3.6 38.0 1.0 OD2 A:ASP119 4.3 56.0 1.0 CG B:GLU166 4.3 61.2 1.0 NZ A:LYS159 4.3 68.7 1.0 CG A:GLU163 4.5 56.7 1.0 OE2 B:GLU163 4.6 75.9 1.0 CG A:GLU166 4.6 59.0 1.0 O B:HOH306 4.7 49.7 1.0 CB A:GLU166 4.9 50.9 1.0

Calcium binding site 2 out of 5 in the Chaperone Hscb From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Chaperone Hscb From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:60.0 occ:1.00 O C:HOH314 2.4 59.1 1.0 O B:HOH313 2.4 58.1 1.0 OD2 B:ASP167 2.5 51.1 1.0 OE1 B:GLU163 2.5 66.5 1.0 OD1 B:ASP167 2.5 59.1 1.0 OD1 A:ASP167 2.5 58.4 1.0 OD2 A:ASP167 2.5 51.6 1.0 CG B:ASP167 2.8 53.4 1.0 CG A:ASP167 2.9 53.6 1.0 CD B:GLU163 3.4 67.5 1.0 O A:HOH418 3.4 52.5 1.0 OE2 B:GLU163 3.6 75.9 1.0 OD2 C:ASP167 3.9 50.4 1.0 O A:HOH421 4.2 62.0 1.0 CB B:ASP167 4.3 52.4 1.0 CB A:ASP167 4.4 52.0 1.0 O B:HOH315 4.4 38.0 1.0 O A:HOH408 4.7 61.0 1.0 CG B:GLU163 4.8 61.1 1.0 O B:GLU163 4.8 50.9 1.0 CG C:ASP167 4.9 52.1 1.0

Calcium binding site 3 out of 5 in the Chaperone Hscb From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Chaperone Hscb From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca201 b:59.8 occ:1.00 OE2 D:GLU166 2.4 61.2 1.0 O C:HOH318 2.5 54.5 1.0 OE2 C:GLU163 2.5 57.2 1.0 OE1 C:GLU166 2.5 56.0 1.0 O C:HOH327 2.5 57.4 1.0 OE1 D:GLU166 2.6 61.3 1.0 CD D:GLU166 2.8 61.1 1.0 OE1 C:GLU163 2.8 56.3 1.0 CD C:GLU163 3.0 54.7 1.0 CD C:GLU166 3.2 62.0 1.0 OE2 C:GLU166 3.3 65.3 1.0 CA D:CA202 3.6 55.2 1.0 O D:HOH306 4.1 47.4 1.0 NZ C:LYS159 4.2 65.3 1.0 CG D:GLU166 4.3 57.7 1.0 OD2 C:ASP119 4.5 64.1 1.0 CG C:GLU163 4.5 51.3 1.0 CG C:GLU166 4.6 55.3 1.0 OE1 D:GLU163 4.8 55.5 1.0 CB C:GLU166 4.9 54.2 1.0 OD2 D:ASP119 5.0 73.3 1.0

Calcium binding site 4 out of 5 in the Chaperone Hscb From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Chaperone Hscb From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca201 b:61.8 occ:1.00 O A:HOH421 2.3 62.0 1.0 O A:HOH408 2.4 61.0 1.0 OE2 D:GLU163 2.4 51.0 1.0 O D:HOH308 2.5 54.6 1.0 OD2 C:ASP167 2.5 50.4 1.0 OD2 D:ASP167 2.6 52.1 1.0 OD1 D:ASP167 2.6 57.6 1.0 OD1 C:ASP167 2.7 54.9 1.0 CG D:ASP167 2.9 53.8 1.0 CG C:ASP167 3.0 52.1 1.0 CD D:GLU163 3.4 52.7 1.0 O C:HOH312 3.5 47.1 1.0 CG D:GLU163 3.7 50.9 1.0 OD2 A:ASP167 3.8 51.6 1.0 O D:HOH305 3.9 57.9 1.0 O C:HOH314 4.1 59.1 1.0 CA D:CA202 4.3 55.2 1.0 CB D:ASP167 4.4 53.8 1.0 CB C:ASP167 4.5 50.2 1.0 OE1 D:GLU163 4.5 55.5 1.0 O D:HOH307 4.8 59.7 1.0 CG A:ASP167 4.9 53.6 1.0 O B:HOH313 4.9 58.1 1.0 O D:GLU163 4.9 52.5 1.0

Calcium binding site 5 out of 5 in the Chaperone Hscb From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Chaperone Hscb From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca202 b:55.2 occ:1.00 OE1 C:GLU166 2.3 56.0 1.0 OE1 C:GLU163 2.3 56.3 1.0 OE1 D:GLU166 2.4 61.3 1.0 OE2 D:GLU163 2.4 51.0 1.0 O C:HOH312 2.4 47.1 1.0 O D:HOH305 2.4 57.9 1.0 OE1 D:GLU163 2.4 55.5 1.0 CD D:GLU163 2.8 52.7 1.0 CD D:GLU166 3.4 61.1 1.0 CD C:GLU166 3.4 62.0 1.0 CD C:GLU163 3.5 54.7 1.0 CA C:CA201 3.6 59.8 1.0 O D:HOH308 3.9 54.6 1.0 O D:HOH306 4.0 47.4 1.0 CG D:GLU166 4.0 57.7 1.0 CG C:GLU166 4.1 55.3 1.0 OD1 C:ASP167 4.1 54.9 1.0 OE2 D:GLU166 4.2 61.2 1.0 OE2 C:GLU163 4.2 57.2 1.0 CG D:GLU163 4.3 50.9 1.0 CA D:CA201 4.3 61.8 1.0 OD1 D:ASP167 4.3 57.6 1.0 CB D:GLU166 4.3 57.5 1.0 OE2 C:GLU166 4.3 65.3 1.0 CB C:GLU166 4.4 54.2 1.0 CB C:GLU163 4.6 49.6 1.0 CG C:GLU163 4.6 51.3 1.0 O C:GLU163 4.6 54.3 1.0 O C:HOH318 4.7 54.5 1.0 CA C:GLU163 4.8 49.4 1.0

J.Osipiuk, M.Gu, L.Papazisi, W.F.Anderson, A.Joachimiak. Chaperone Hscb From Vibrio Cholerae. To Be Published.