Calcium in PDB 5f6m: Isotropic Trypsin Model For Comparison of Diffuse Scattering

All present enzymatic activity of Isotropic Trypsin Model For Comparison of Diffuse Scattering:
3.4.21.4;

The structure of Isotropic Trypsin Model For Comparison of Diffuse Scattering, PDB code: 5f6m was solved by A.H.Van Benschoten, M.E.Wall, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.84 / 1.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.810, 58.510, 67.420, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 15.5

The binding sites of Calcium atom in the Isotropic Trypsin Model For Comparison of Diffuse Scattering (pdb code 5f6m). 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 Isotropic Trypsin Model For Comparison of Diffuse Scattering, PDB code: 5f6m:

Calcium binding site 1 out of 1 in the Isotropic Trypsin Model For Comparison of Diffuse Scattering


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Isotropic Trypsin Model For Comparison of Diffuse Scattering within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:9.4 occ:1.00 O A:VAL75 2.2 10.8 1.0 OE1 A:GLU70 2.2 10.7 1.0 OE2 A:GLU80 2.3 9.9 1.0 O A:ASN72 2.3 9.1 1.0 O A:HOH415 2.3 10.4 1.0 O A:HOH480 2.3 11.4 1.0 CD A:GLU70 3.3 9.4 1.0 CD A:GLU80 3.4 10.7 1.0 C A:VAL75 3.4 10.1 1.0 C A:ASN72 3.5 8.5 1.0 CG A:GLU80 3.7 12.1 1.0 OE2 A:GLU70 3.8 11.3 1.0 CA A:VAL76 4.1 11.7 1.0 N A:GLU77 4.1 10.9 1.0 N A:VAL76 4.2 10.1 1.0 OE1 A:GLU77 4.2 12.6 1.0 N A:VAL75 4.3 9.3 1.0 CA A:ILE73 4.3 8.7 1.0 N A:ILE73 4.3 8.6 1.0 N A:ASN72 4.4 8.8 1.0 CA A:VAL75 4.4 10.2 1.0 O A:HOH503 4.5 13.2 1.0 CA A:ASN72 4.5 9.1 1.0 CG A:GLU77 4.5 12.5 1.0 OE1 A:GLU80 4.5 11.6 1.0 N A:ASP71 4.5 8.3 1.0 C A:ILE73 4.6 8.4 1.0 C A:VAL76 4.6 11.4 1.0 CG A:GLU70 4.6 9.8 1.0 CA A:GLU70 4.7 9.0 1.0 CB A:GLU77 4.8 12.2 1.0 CD A:GLU77 4.8 15.0 1.0 CB A:GLU70 4.8 9.4 1.0 CB A:ASN72 4.9 9.7 1.0 N A:ASN74 4.9 8.3 0.6 O A:HOH602 4.9 21.1 1.0 N A:ASN74 5.0 8.4 0.5 O A:ILE73 5.0 10.2 1.0 C A:ASP71 5.0 8.7 1.0

A.H.Van Benschoten, L.Liu, A.Gonzalez, A.S.Brewster, N.K.Sauter, J.S.Fraser, M.E.Wall. Measuring and Modeling Diffuse Scattering in Protein X-Ray Crystallography. Proc.Natl.Acad.Sci.Usa V. 113 4069 2016.
ISSN: ESSN 1091-6490
PubMed: 27035972
DOI: 10.1073/PNAS.1524048113