Calcium in PDB 3lwa: The Crystal Structure of A Secreted Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 1.75A

The structure of The Crystal Structure of A Secreted Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 1.75A, PDB code: 3lwa was solved by A.J.Stein, A.Weger, R.Hendricks, G.Cobb, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.68 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.818, 35.376, 53.718, 90.00, 96.69, 90.00
R / Rfree (%)	20 / 23

The binding sites of Calcium atom in the The Crystal Structure of A Secreted Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 1.75A (pdb code 3lwa). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Crystal Structure of A Secreted Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 1.75A, PDB code: 3lwa:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Crystal Structure of A Secreted Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 1.75A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of A Secreted Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 1.75A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:37.5 occ:1.00 O A:HOH224 2.1 26.1 1.0 O A:HOH221 2.1 26.2 1.0 O A:HOH226 2.1 23.2 1.0 O A:HOH222 2.1 25.0 1.0 O A:HOH223 2.2 22.5 1.0 O A:HOH225 2.2 25.7 1.0 OD1 A:ASP80 4.0 27.4 1.0 O A:HOH230 4.1 42.3 1.0 O A:HOH232 4.2 38.0 1.0 OD2 A:ASP80 4.2 24.6 1.0 OD1 A:ASN77 4.3 25.1 1.0 O A:GLN75 4.3 20.6 1.0 CG A:ASP80 4.5 24.9 1.0 CB A:GLN75 4.6 23.1 1.0 O A:HOH234 4.8 45.8 1.0 C A:GLN75 4.9 22.2 1.0

Calcium binding site 2 out of 2 in the The Crystal Structure of A Secreted Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 1.75A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of A Secreted Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 1.75A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2 b:30.9 occ:1.00 OG A:SER68 3.1 21.9 1.0 N A:SER151 3.3 18.8 1.0 O A:SER151 3.3 19.6 1.0 N A:MSE70 3.4 22.7 1.0 CG A:MSE70 3.6 32.8 1.0 N A:LEU69 3.7 18.5 1.0 CB A:MSE70 3.7 27.1 1.0 CA A:PRO150 3.8 19.6 1.0 C A:PRO150 4.0 18.5 1.0 CA A:MSE70 4.1 25.7 1.0 CD1 A:ILE76 4.1 26.6 1.0 CB A:PRO150 4.2 20.4 1.0 C A:SER151 4.2 19.1 1.0 CB A:LEU69 4.2 19.3 1.0 CA A:LEU69 4.3 19.2 1.0 CB A:SER68 4.3 18.6 1.0 CA A:SER151 4.3 18.9 1.0 C A:LEU69 4.3 21.5 1.0 C A:SER68 4.4 18.6 1.0 CA A:SER68 4.5 18.5 1.0 CB A:SER151 4.8 18.6 1.0 N A:GLU71 4.9 26.2 1.0

A.J.Stein, A.Weger, R.Hendricks, G.Cobb, A.Joachimiak. The Crystal Structure of A Secreted Thiol-Disulfide Isomerase From Corynebacterium Glutamicum to 1.75A To Be Published.