Calcium in PDB 3s69: Crystal Structure of Saxthrombin

The structure of Crystal Structure of Saxthrombin, PDB code: 3s69 was solved by K.Huang, W.Zhao, M.Teng, L.Niu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.38 / 1.43
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.234, 52.208, 50.103, 90.00, 96.72, 90.00
R / Rfree (%)	18.9 / 20.2

The binding sites of Calcium atom in the Crystal Structure of Saxthrombin (pdb code 3s69). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Saxthrombin, PDB code: 3s69:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Saxthrombin


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 Saxthrombin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:16.5 occ:1.00 O A:HOH418 2.1 22.4 1.0 CE1 A:HIS116 2.1 16.2 1.0 O A:HOH595 2.1 28.2 1.0 O A:HOH596 2.2 24.6 1.0 OE2 A:GLU115 2.2 17.7 1.0 O A:HOH429 2.2 28.7 1.0 ND1 A:HIS116 3.1 17.8 1.0 NE2 A:HIS116 3.1 18.3 1.0 CD A:GLU115 3.2 17.1 1.0 CG A:GLU115 3.6 16.4 1.0 OD2 A:ASP77 4.1 22.7 1.0 O A:HOH460 4.1 33.8 1.0 OD1 A:ASP77 4.1 21.6 1.0 O A:HOH607 4.2 42.8 1.0 CG A:HIS116 4.2 16.4 1.0 CD2 A:HIS116 4.3 16.3 1.0 O A:HOH556 4.3 58.4 1.0 OE1 A:GLU115 4.3 17.6 1.0 O A:HOH537 4.4 40.6 1.0 CG A:ASP77 4.5 22.3 1.0 O A:HOH613 4.5 41.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Saxthrombin


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 Saxthrombin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:28.2 occ:1.00 O A:HOH519 2.1 42.6 1.0 O A:HOH472 2.2 32.3 1.0 NE2 A:HIS233 2.3 18.8 0.5 O A:HOH443 2.5 35.1 1.0 CD2 A:HIS233 3.2 19.1 0.5 CE1 A:HIS233 3.4 18.8 0.5 O A:HOH441 4.2 24.2 1.0 CG A:HIS233 4.4 18.7 0.5 ND1 A:HIS233 4.4 18.9 0.5

K.Huang, W.Zhao, Y.Gao, W.Wei, M.Teng, L.Niu. Structure of Saxthrombin, A Thrombin-Like Enzyme From Gloydius Saxatilis. Acta Crystallogr.,Sect.F V. 67 862 2011.
ISSN: ESSN 1744-3091
PubMed: 21821882
DOI: 10.1107/S1744309111022548