Calcium in PDB 4i2n: Crystal Structure of 31KD Heat Shock Protein, VCHSP31 From Vibrio Cholerae

The structure of Crystal Structure of 31KD Heat Shock Protein, VCHSP31 From Vibrio Cholerae, PDB code: 4i2n was solved by S.Das, U.Sen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.54 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.514, 79.094, 133.132, 90.00, 95.22, 90.00
R / Rfree (%)	18.7 / 22.3

The binding sites of Calcium atom in the Crystal Structure of 31KD Heat Shock Protein, VCHSP31 From Vibrio Cholerae (pdb code 4i2n). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of 31KD Heat Shock Protein, VCHSP31 From Vibrio Cholerae, PDB code: 4i2n:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Crystal Structure of 31KD Heat Shock Protein, VCHSP31 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 Crystal Structure of 31KD Heat Shock Protein, VCHSP31 From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:27.0 occ:1.00 O A:HOH409 2.8 17.9 1.0 OH A:TYR224 3.0 23.9 1.0 O A:HOH583 3.0 26.8 1.0 O A:HOH484 3.1 28.4 1.0 CG A:PRO265 3.5 17.5 1.0 CZ A:TYR224 4.0 21.1 1.0 CD2 A:HIS76 4.0 17.6 1.0 CE2 A:TYR224 4.0 20.5 1.0 CE1 A:HIS158 4.2 18.2 1.0 ND1 A:HIS158 4.3 16.7 1.0 O A:HOH523 4.4 25.3 1.0 OE2 A:GLU79 4.5 18.7 1.0 SG A:CYS188 4.5 20.3 1.0 O2 A:MPD301 4.6 44.4 1.0 OE1 A:GLU107 4.6 13.2 1.0 CD A:PRO265 4.6 18.8 1.0 CB A:PRO265 4.7 20.0 1.0 CG A:HIS76 4.9 16.8 1.0 CA A:GLY157 4.9 16.9 1.0 NE2 A:HIS76 4.9 18.3 1.0 ND1 A:HIS189 4.9 15.7 1.0 OE2 A:GLU107 4.9 14.2 1.0

Calcium binding site 2 out of 6 in the Crystal Structure of 31KD Heat Shock Protein, VCHSP31 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 Crystal Structure of 31KD Heat Shock Protein, VCHSP31 From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:23.7 occ:1.00 OH B:TYR224 3.0 16.2 1.0 O B:HOH409 3.1 16.5 1.0 O B:HOH440 3.1 18.4 1.0 O B:HOH564 3.2 20.2 1.0 CG B:PRO265 3.6 15.1 1.0 ND1 B:HIS76 3.8 15.8 1.0 CZ B:TYR224 4.0 15.0 1.0 CE2 B:TYR224 4.0 16.1 1.0 ND1 B:HIS158 4.4 16.8 1.0 CE1 B:HIS158 4.4 17.6 1.0 OE2 B:GLU79 4.4 16.8 1.0 O B:HOH418 4.5 18.9 1.0 SG B:CYS188 4.5 19.4 1.0 CE1 B:HIS76 4.5 12.8 1.0 OE1 B:GLU107 4.5 14.4 1.0 CD B:PRO265 4.6 13.9 1.0 CB B:PRO265 4.7 15.0 1.0 CA B:GLY157 4.9 15.4 1.0 CG B:HIS76 4.9 14.0 1.0 OE2 B:GLU107 5.0 14.9 1.0

Calcium binding site 3 out of 6 in the Crystal Structure of 31KD Heat Shock Protein, VCHSP31 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 Crystal Structure of 31KD Heat Shock Protein, VCHSP31 From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca301 b:42.8 occ:1.00 O C:HOH418 2.9 19.1 1.0 OH C:TYR224 3.1 28.4 1.0 CG C:PRO265 3.5 22.6 1.0 O C:HOH620 3.6 36.4 1.0 ND1 C:HIS76 3.9 21.2 1.0 SG C:CYS188 4.1 26.3 1.0 OE2 C:GLU79 4.2 20.7 1.0 CZ C:TYR224 4.2 25.1 1.0 O C:HOH569 4.3 31.4 1.0 ND1 C:HIS158 4.3 14.5 1.0 CE1 C:HIS158 4.3 16.5 1.0 OE1 C:GLU107 4.5 18.3 1.0 CE2 C:TYR224 4.5 26.6 1.0 CD C:PRO265 4.5 20.3 1.0 CA C:GLY157 4.6 17.8 1.0 CE1 C:HIS76 4.7 20.3 1.0 CB C:PRO265 4.7 21.4 1.0 CG C:HIS76 4.9 18.3 1.0 OE2 C:GLU107 4.9 18.0 1.0 O C:HOH665 5.0 48.0 1.0

Calcium binding site 4 out of 6 in the Crystal Structure of 31KD Heat Shock Protein, VCHSP31 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 Crystal Structure of 31KD Heat Shock Protein, VCHSP31 From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca302 b:28.4 occ:1.00 O D:HOH431 2.8 19.8 1.0 O D:HOH489 3.1 36.9 1.0 OH D:TYR224 3.1 21.0 1.0 O D:HOH566 3.1 29.1 1.0 CG D:PRO265 3.6 18.6 1.0 CE2 D:TYR224 4.0 17.5 1.0 CZ D:TYR224 4.0 19.7 1.0 ND1 D:HIS76 4.1 15.4 1.0 O4 D:MPD301 4.2 46.7 1.0 CE1 D:HIS158 4.2 17.0 1.0 ND1 D:HIS158 4.3 14.8 1.0 O D:HOH547 4.3 25.0 1.0 SG D:CYS188 4.4 23.5 1.0 OE2 D:GLU79 4.5 17.2 1.0 CD D:PRO265 4.6 19.2 1.0 OE1 D:GLU107 4.6 17.3 1.0 C5 D:MPD301 4.7 44.4 1.0 CE1 D:HIS76 4.7 12.7 1.0 CA D:GLY157 4.8 16.6 1.0 CB D:PRO265 4.8 20.4 1.0 OE2 D:GLU107 4.9 17.5 1.0 CG D:HIS76 5.0 14.9 1.0

Calcium binding site 5 out of 6 in the Crystal Structure of 31KD Heat Shock Protein, VCHSP31 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 Crystal Structure of 31KD Heat Shock Protein, VCHSP31 From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca302 b:31.6 occ:1.00 OH E:TYR224 3.0 24.9 1.0 O E:HOH410 3.1 17.4 1.0 O E:HOH546 3.2 26.8 1.0 O E:HOH423 3.2 21.8 1.0 CG E:PRO265 3.7 22.0 1.0 CZ E:TYR224 3.9 26.3 1.0 ND1 E:HIS76 3.9 21.3 1.0 CE2 E:TYR224 4.0 25.2 1.0 CM E:MPD301 4.1 40.8 1.0 CE1 E:HIS158 4.2 20.8 1.0 O E:HOH509 4.2 30.0 1.0 ND1 E:HIS158 4.3 19.2 1.0 OE2 E:GLU79 4.5 20.4 1.0 SG E:CYS188 4.5 22.6 1.0 CE1 E:HIS76 4.6 19.6 1.0 CD E:PRO265 4.7 21.2 1.0 OE1 E:GLU107 4.8 19.6 1.0 CB E:PRO265 4.9 22.6 1.0 CA E:GLY157 4.9 18.7 1.0 CG E:HIS76 4.9 21.0 1.0

Calcium binding site 6 out of 6 in the Crystal Structure of 31KD Heat Shock Protein, VCHSP31 From Vibrio Cholerae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of 31KD Heat Shock Protein, VCHSP31 From Vibrio Cholerae within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca302 b:35.1 occ:1.00 O F:HOH594 3.0 31.4 1.0 O F:HOH418 3.0 21.4 1.0 O F:HOH455 3.1 29.0 1.0 OH F:TYR224 3.1 31.7 1.0 CG F:PRO265 3.5 24.1 1.0 CZ F:TYR224 4.1 31.3 1.0 CE2 F:TYR224 4.1 30.4 1.0 ND1 F:HIS76 4.1 23.6 1.0 CE1 F:HIS158 4.2 21.9 1.0 ND1 F:HIS158 4.3 21.7 1.0 C1 F:MPD301 4.3 48.8 1.0 SG F:CYS188 4.4 26.9 1.0 OE2 F:GLU79 4.4 26.0 1.0 CD F:PRO265 4.4 22.7 1.0 O F:HOH505 4.4 29.6 1.0 O2 F:MPD301 4.7 49.3 1.0 CB F:PRO265 4.8 23.0 1.0 CE1 F:HIS76 4.8 19.6 1.0 OE1 F:GLU107 4.9 18.9 1.0 CA F:GLY157 4.9 19.9 1.0

S.Das, U.Sen. Temperature Dependent Structural Flexibility and Functional Activation of 31KD Heat Shock Protein, VCHSP31 From Vibrio Cholerae To Be Published.