Calcium in PDB 1a3u: Staphylococcal Nuclease, Cyclohexane Thiol Disulfide to V23C Variant

All present enzymatic activity of Staphylococcal Nuclease, Cyclohexane Thiol Disulfide to V23C Variant:
3.1.31.1;

The structure of Staphylococcal Nuclease, Cyclohexane Thiol Disulfide to V23C Variant, PDB code: 1a3u 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 / 2.05
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	48.600, 48.600, 62.400, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / n/a

The binding sites of Calcium atom in the Staphylococcal Nuclease, Cyclohexane Thiol Disulfide to V23C Variant (pdb code 1a3u). 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 Staphylococcal Nuclease, Cyclohexane Thiol Disulfide to V23C Variant, PDB code: 1a3u:

Calcium binding site 1 out of 1 in the Staphylococcal Nuclease, Cyclohexane 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 Staphylococcal Nuclease, Cyclohexane Thiol Disulfide to V23C Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca150 b:37.1 occ:1.00 OD1 A:ASP40 2.4 34.0 1.0 O A:THR41 2.6 32.8 1.0 OD2 A:ASP21 2.6 26.1 1.0 O4P A:THP151 3.0 30.9 1.0 H A:THR41 3.4 0.0 1.0 CG A:ASP21 3.5 25.0 1.0 CG A:ASP40 3.6 29.6 1.0 OD1 A:ASP21 3.7 28.2 1.0 HH21 A:ARG35 3.8 0.0 1.0 C A:THR41 3.8 32.1 1.0 N A:THR41 3.8 29.3 1.0 H2 A:HOH237 3.9 0.0 1.0 O A:HOH237 4.0 37.0 1.0 P2 A:THP151 4.0 28.3 1.0 OG1 A:THR41 4.0 26.5 1.0 O5P A:THP151 4.1 31.5 1.0 NH2 A:ARG35 4.1 27.7 1.0 OD2 A:ASP40 4.3 34.1 1.0 HE A:ARG35 4.4 0.0 1.0 CA A:THR41 4.4 29.5 1.0 HH22 A:ARG35 4.5 0.0 1.0 C A:ASP40 4.5 28.3 1.0 CA A:ASP40 4.5 26.4 1.0 O6P A:THP151 4.6 29.5 1.0 CZ A:ARG35 4.6 28.9 1.0 CB A:ASP40 4.7 28.8 1.0 C A:PRO42 4.7 41.3 1.0 NE A:ARG35 4.7 23.7 1.0 HG1 A:THR41 4.8 0.0 1.0 OD2 A:ASP19 4.8 32.5 1.0 O A:PRO42 4.8 40.5 1.0 N A:GLU43 4.8 44.8 1.0 N A:PRO42 4.9 33.8 1.0 H1 A:HOH237 4.9 0.0 1.0 CB A:THR41 4.9 27.8 1.0 CB A:ASP21 4.9 22.7 1.0 OE1 A:GLU43 4.9 50.4 1.0

R.Wynn, P.C.Harkins, F.M.Richards, R.O.Fox. Comparison of Straight Chain and Cyclic Unnatural Amino Acids Embedded in the Core of Staphylococcal Nuclease. Protein Sci. V. 6 1621 1997.
ISSN: ISSN 0961-8368
PubMed: 9260275