Calcium in PDB 1gwa: Triiodide Derivative of Porcine Pancreas Elastase

All present enzymatic activity of Triiodide Derivative of Porcine Pancreas Elastase:
3.4.21.36;

The structure of Triiodide Derivative of Porcine Pancreas Elastase, PDB code: 1gwa was solved by G.Evans, G.Bricogne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.68 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.574, 57.899, 74.761, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 20.5

The structure of Triiodide Derivative of Porcine Pancreas Elastase also contains other interesting chemical elements:

Iodine

(I)

23 atoms

The binding sites of Calcium atom in the Triiodide Derivative of Porcine Pancreas Elastase (pdb code 1gwa). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Triiodide Derivative of Porcine Pancreas Elastase, PDB code: 1gwa:

Calcium binding site 1 out of 1 in the Triiodide Derivative of Porcine Pancreas Elastase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Triiodide Derivative of Porcine Pancreas Elastase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1246 b:11.8 occ:0.49 O A:HOH2048 2.1 28.7 1.0 O A:ASN72 2.1 19.4 1.0 O A:GLN75 2.3 26.5 1.0 OE1 A:GLU70 2.4 20.9 1.0 OE2 A:GLU80 2.5 24.7 1.0 OD1 A:ASP77 2.6 32.8 1.0 CD A:GLU70 3.1 26.9 1.0 OE2 A:GLU70 3.1 25.6 1.0 C A:ASN72 3.4 19.1 1.0 C A:GLN75 3.5 27.7 1.0 CD A:GLU80 3.6 31.8 1.0 CG A:ASP77 3.6 33.0 1.0 CG A:GLU80 3.9 21.6 1.0 N A:ASP77 4.1 22.4 1.0 N A:ASN72 4.2 12.7 1.0 CA A:ASN76 4.2 23.4 1.0 C A:LEU73 4.3 25.1 1.0 CA A:ASN72 4.3 13.0 1.0 O A:LEU73 4.3 25.7 1.0 N A:LEU73 4.3 16.4 1.0 N A:GLN75 4.3 25.3 1.0 CB A:ASP77 4.3 23.5 1.0 N A:ASN76 4.3 24.1 1.0 CA A:LEU73 4.4 16.5 1.0 OD2 A:ASP77 4.5 35.4 1.0 CB A:ASN72 4.5 13.4 1.0 C A:ASN76 4.6 25.9 1.0 CG A:GLU70 4.6 14.0 1.0 CA A:GLN75 4.6 24.7 1.0 OE1 A:GLU80 4.6 16.5 1.0 N A:HIS71 4.8 11.5 1.0 CA A:ASP77 4.9 21.7 1.0 N A:ASN74 4.9 23.8 1.0 OH A:TYR82 5.0 24.5 1.0

G.Evans, G.Bricogne. Triiodide Derivatization and Combinatorial Counter-Ion Replacement: Two Methods For Enhancing Phasing Signal Using Laboratory Cu Kalpha X-Ray Equipment Acta Crystallogr.,Sect.D V. 58 976 2002.
ISSN: ISSN 0907-4449
PubMed: 12037300
DOI: 10.1107/S0907444902005486