Calcium in PDB 3qoj: Cryogenic Structure of Staphylococcal Nuclease Variant D+Phs/V23K

All present enzymatic activity of Cryogenic Structure of Staphylococcal Nuclease Variant D+Phs/V23K:
3.1.31.1;

The structure of Cryogenic Structure of Staphylococcal Nuclease Variant D+Phs/V23K, PDB code: 3qoj was solved by A.C.Robinson, J.L.Schlessman, A.Heroux, B.Garcia-Moreno E., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.65 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.138, 60.351, 38.156, 90.00, 93.86, 90.00
R / Rfree (%)	18.7 / 22.8

The binding sites of Calcium atom in the Cryogenic Structure of Staphylococcal Nuclease Variant D+Phs/V23K (pdb code 3qoj). 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 Cryogenic Structure of Staphylococcal Nuclease Variant D+Phs/V23K, PDB code: 3qoj:

Calcium binding site 1 out of 1 in the Cryogenic Structure of Staphylococcal Nuclease Variant D+Phs/V23K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cryogenic Structure of Staphylococcal Nuclease Variant D+Phs/V23K within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca150 b:20.1 occ:1.00 OD1 A:ASP40 2.7 18.6 1.0 O A:HOH181 2.8 18.5 1.0 OD2 A:ASP21 2.9 15.5 1.0 O A:THR41 2.9 18.3 1.0 O A:HOH45 2.9 20.3 1.0 OE1 A:GLU43 3.0 36.4 1.0 O5P A:THP151 3.2 15.8 1.0 CG A:ASP21 3.6 14.5 1.0 OD1 A:ASP21 3.7 15.0 1.0 O A:HOH207 3.7 30.7 1.0 CG A:ASP40 3.8 20.4 1.0 CD A:GLU43 4.0 33.9 1.0 C A:THR41 4.0 18.1 1.0 N A:THR41 4.0 14.2 1.0 NH2 A:ARG35 4.0 12.1 1.0 OG1 A:THR41 4.1 17.7 1.0 P2 A:THP151 4.1 15.3 1.0 O A:HOH220 4.1 24.1 1.0 O4P A:THP151 4.2 14.1 1.0 O A:HOH221 4.2 32.6 1.0 CA A:THR41 4.5 15.7 1.0 OD2 A:ASP40 4.5 25.0 1.0 O A:HOH190 4.6 25.1 1.0 OE2 A:GLU43 4.6 33.2 1.0 O6P A:THP151 4.6 17.7 1.0 O A:HOH229 4.6 31.6 1.0 CA A:ASP40 4.7 14.2 1.0 CZ A:ARG35 4.7 11.6 1.0 C A:ASP40 4.7 16.5 1.0 NE A:ARG35 4.8 11.3 1.0 CB A:ASP40 4.9 16.1 1.0 C A:PRO42 4.9 23.8 1.0 CG A:GLU43 4.9 29.6 1.0 O A:PRO42 4.9 24.6 1.0 N A:GLU43 4.9 27.3 1.0 CB A:THR41 4.9 16.4 1.0

A.C.Robinson, J.L.Schlessman, A.Heroux, B.Garcia-Moreno E., C.A.Castaneda. Determinants of Pka Values of Internal Ionizable Groups: Properties of Ion Pairs in the Protein Core To Be Published.