Calcium in PDB 4qf4: Crystal Structure of Staphylococcal Nuclease Variant V23M at Cryogenic Temperature

All present enzymatic activity of Crystal Structure of Staphylococcal Nuclease Variant V23M at Cryogenic Temperature:
3.1.31.1;

The structure of Crystal Structure of Staphylococcal Nuclease Variant V23M at Cryogenic Temperature, PDB code: 4qf4 was solved by J.A.Caro, J.L.Schlessman, A.Heroux, E.B.Garcia-Moreno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.00 / 1.80
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	67.530, 67.530, 62.817, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 23.9

The binding sites of Calcium atom in the Crystal Structure of Staphylococcal Nuclease Variant V23M at Cryogenic Temperature (pdb code 4qf4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Staphylococcal Nuclease Variant V23M at Cryogenic Temperature, PDB code: 4qf4:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Staphylococcal Nuclease Variant V23M at Cryogenic Temperature


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Staphylococcal Nuclease Variant V23M at Cryogenic Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:37.9 occ:1.00 OD1 A:ASP40 2.1 38.6 1.0 O A:HOH331 2.3 28.8 1.0 O A:HOH320 2.4 33.2 1.0 OD1 A:ASP21 2.5 29.9 1.0 O A:THR41 2.6 34.9 1.0 O A:HOH330 2.7 34.5 1.0 O4P A:THP201 2.8 40.2 1.0 CG A:ASP40 3.3 38.7 1.0 CG A:ASP21 3.4 29.8 1.0 OD2 A:ASP21 3.6 29.6 1.0 C A:THR41 3.7 34.4 1.0 N A:THR41 3.7 31.0 1.0 P2 A:THP201 3.9 39.2 1.0 NH2 A:ARG35 3.9 30.2 1.0 OG1 A:THR41 4.0 30.2 1.0 OD2 A:ASP40 4.1 42.8 1.0 O A:HOH340 4.1 37.5 1.0 O5P A:THP201 4.2 33.4 1.0 CA A:THR41 4.2 32.2 1.0 CA A:ASP40 4.3 32.2 1.0 C A:ASP40 4.3 32.9 1.0 CB A:ASP40 4.4 34.9 1.0 OD1 A:ASP19 4.5 42.2 1.0 CZ A:ARG35 4.6 27.7 1.0 OE1 A:GLU43 4.6 55.0 1.0 O6P A:THP201 4.6 42.6 1.0 C A:PRO42 4.7 43.3 1.0 NE A:ARG35 4.7 28.4 1.0 CB A:THR41 4.7 30.4 1.0 N A:PRO42 4.7 37.7 1.0 CB A:ASP21 4.7 28.3 1.0 O A:PRO42 4.8 40.9 1.0 N A:GLU43 5.0 45.9 1.0 CA A:PRO42 5.0 40.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Staphylococcal Nuclease Variant V23M at Cryogenic Temperature


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Staphylococcal Nuclease Variant V23M at Cryogenic Temperature within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:36.4 occ:1.00 OD1 B:ASP40 2.0 35.1 1.0 O B:HOH325 2.3 33.8 1.0 O B:HOH322 2.5 33.1 1.0 O B:THR41 2.6 33.2 1.0 OD1 B:ASP21 2.6 26.6 1.0 O B:HOH311 2.7 36.2 1.0 O4P B:THP201 2.7 34.0 1.0 CG B:ASP40 3.2 36.2 1.0 CG B:ASP21 3.5 26.3 1.0 C B:THR41 3.7 33.4 1.0 N B:THR41 3.7 28.6 1.0 OD2 B:ASP21 3.8 27.1 1.0 P2 B:THP201 3.9 37.6 1.0 OD2 B:ASP40 3.9 39.0 1.0 NH2 B:ARG35 3.9 28.5 1.0 OG1 B:THR41 4.0 28.3 1.0 O B:HOH344 4.0 37.8 1.0 O5P B:THP201 4.2 30.4 1.0 CA B:THR41 4.3 29.6 1.0 CA B:ASP40 4.3 30.1 1.0 CB B:ASP40 4.3 32.1 1.0 C B:ASP40 4.3 29.8 1.0 OE1 B:GLU43 4.4 50.4 1.0 CZ B:ARG35 4.6 26.7 1.0 O6P B:THP201 4.6 35.8 1.0 OD1 B:ASP19 4.6 44.0 1.0 C B:PRO42 4.7 41.1 1.0 N B:PRO42 4.7 35.8 1.0 CB B:THR41 4.8 27.8 1.0 NE B:ARG35 4.8 27.9 1.0 CB B:ASP21 4.8 26.2 1.0 O B:PRO42 4.8 38.4 1.0 N B:GLU43 4.9 43.0 1.0 CA B:PRO42 5.0 40.2 1.0

J.A.Caro, J.L.Schlessman, E.B.Garcia-Moreno. Pressure Effects in Proteins To Be Published.