Calcium in PDB 3i77: 35/99/170-Loops of Fxa in Sgt

All present enzymatic activity of 35/99/170-Loops of Fxa in Sgt:
3.4.21.4;

The structure of 35/99/170-Loops of Fxa in Sgt, PDB code: 3i77 was solved by M.J.Page, E.Di Cera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.08 / 2.10
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	138.351, 138.351, 81.402, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 19.5

The binding sites of Calcium atom in the 35/99/170-Loops of Fxa in Sgt (pdb code 3i77). 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 35/99/170-Loops of Fxa in Sgt, PDB code: 3i77:

Calcium binding site 1 out of 1 in the 35/99/170-Loops of Fxa in Sgt


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 35/99/170-Loops of Fxa in Sgt within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:7.4 occ:0.53 O A:ALA177A 2.3 22.9 1.0 O A:MET180 2.3 14.0 1.0 O A:HOH493 2.4 23.3 1.0 O A:HOH507 2.4 24.4 1.0 OE2 A:GLU230 2.5 21.9 1.0 OD1 A:ASP165 2.6 25.7 1.0 OD2 A:ASP165 2.7 24.0 1.0 CG A:ASP165 3.0 22.6 1.0 C A:MET180 3.5 13.8 1.0 C A:ALA177A 3.5 22.2 1.0 CD A:GLU230 3.6 21.0 1.0 O A:HOH438 4.0 12.5 1.0 OE1 A:GLU230 4.1 23.2 1.0 CA A:ILE181 4.1 15.3 1.0 N A:ILE181 4.3 13.9 1.0 CA A:ALA177A 4.4 21.9 1.0 N A:MET180 4.4 13.1 1.0 O A:HOH544 4.5 30.8 1.0 N A:ASN178 4.5 20.1 1.0 CG1 A:ILE181 4.5 20.3 1.0 CB A:ASP165 4.6 21.1 1.0 CA A:MET180 4.6 12.9 1.0 CA A:ASN178 4.6 19.4 1.0 O A:HOH802 4.7 35.3 1.0 O A:HOH552 4.8 32.7 1.0 CB A:ALA177A 4.9 22.6 1.0 C A:ASN178 4.9 17.3 1.0 CG A:GLU230 4.9 15.6 1.0 CB A:ILE181 4.9 15.9 1.0

M.J.Page, E.Di Cera. Combinatorial Enzyme Design Probes Allostery and Cooperativity in the Trypsin Fold. J.Mol.Biol. V. 399 306 2010.
ISSN: ISSN 0022-2836
PubMed: 20399789
DOI: 10.1016/J.JMB.2010.04.024