Calcium in PDB 3nuc: Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide to V23C Variant

All present enzymatic activity of Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide to V23C Variant:
3.1.31.1;

The structure of Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide to V23C Variant, PDB code: 3nuc was solved by R.Wynn, P.C.Harkins, F.M.Richards, R.O.Fox, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 1.90
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	48.300, 48.300, 63.100, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / n/a

The binding sites of Calcium atom in the Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide to V23C Variant (pdb code 3nuc). 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 Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide to V23C Variant, PDB code: 3nuc:

Calcium binding site 1 out of 1 in the Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide to V23C Variant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide to V23C Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca150 b:29.9 occ:1.00 O A:HOH252 1.6 49.7 1.0 O A:HOH214 2.3 29.1 1.0 O A:HOH208 2.3 29.8 1.0 H2 A:HOH252 2.3 0.0 1.0 OD1 A:ASP40 2.3 33.9 1.0 OD2 A:ASP21 2.4 22.9 1.0 H1 A:HOH252 2.4 0.0 1.0 O4P A:THP151 2.6 29.2 1.0 O A:THR41 2.6 29.1 1.0 H2 A:HOH214 2.9 0.0 1.0 H2 A:HOH208 2.9 0.0 1.0 H1 A:HOH214 3.0 0.0 1.0 H1 A:HOH208 3.0 0.0 1.0 CG A:ASP21 3.2 23.3 1.0 H A:THR41 3.3 0.0 1.0 OD1 A:ASP21 3.4 23.1 1.0 HH21 A:ARG35 3.5 0.0 1.0 CG A:ASP40 3.5 34.4 1.0 C A:THR41 3.8 30.8 1.0 N A:THR41 3.8 26.5 1.0 P2 A:THP151 3.8 28.4 1.0 H2 A:HOH217 3.9 0.0 1.0 NH2 A:ARG35 3.9 28.7 1.0 O A:HOH231 4.0 45.2 1.0 OG1 A:THR41 4.0 24.9 1.0 O5P A:THP151 4.1 26.7 1.0 O A:HOH217 4.1 34.4 1.0 OD2 A:ASP40 4.2 35.0 1.0 HE A:ARG35 4.2 0.0 1.0 HH22 A:ARG35 4.2 0.0 1.0 H1 A:HOH231 4.3 0.0 1.0 CA A:THR41 4.3 27.5 1.0 C A:ASP40 4.4 28.9 1.0 CZ A:ARG35 4.4 26.4 1.0 O6P A:THP151 4.5 29.9 1.0 CA A:ASP40 4.5 28.4 1.0 NE A:ARG35 4.6 24.9 1.0 CB A:ASP40 4.6 30.1 1.0 HG1 A:THR41 4.6 0.0 1.0 CB A:ASP21 4.6 23.0 1.0 OE1 A:GLU43 4.7 48.9 1.0 OD2 A:ASP19 4.7 32.9 1.0 C A:PRO42 4.7 33.3 1.0 O A:PRO42 4.8 28.8 1.0 H2 A:HOH231 4.8 0.0 1.0 CB A:THR41 4.8 26.5 1.0 N A:PRO42 4.8 31.6 1.0 N A:GLU43 4.9 34.6 1.0 H1 A:HOH217 5.0 0.0 1.0

R.Wynn, P.C.Harkins, F.M.Richards, R.O.Fox. Mobile Unnatural Amino Acid Side Chains in the Core of Staphylococcal Nuclease. Protein Sci. V. 5 1026 1996.
ISSN: ISSN 0961-8368
PubMed: 8762134