Calcium in PDB 8ugm: Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Boronic Acid-Based Compound Z27 Bound

The structure of Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Boronic Acid-Based Compound Z27 Bound, PDB code: 8ugm was solved by M.Fellner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.82 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.723, 73.971, 73.183, 90, 91.43, 90
R / Rfree (%)	15 / 18.9

The binding sites of Calcium atom in the Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Boronic Acid-Based Compound Z27 Bound (pdb code 8ugm). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Boronic Acid-Based Compound Z27 Bound, PDB code: 8ugm:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Boronic Acid-Based Compound Z27 Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Boronic Acid-Based Compound Z27 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:21.2 occ:0.93 O A:GLN15 2.2 18.2 1.0 O A:HOH601 2.6 23.9 1.0 C A:GLN15 3.4 17.1 1.0 H A:GLN15 3.5 24.3 1.0 HG12 A:VAL16 3.6 43.3 1.0 HB3 A:GLN15 3.8 22.8 1.0 HA A:VAL16 3.9 31.8 1.0 O A:HOH404 3.9 27.6 1.0 HG13 A:VAL16 4.0 43.3 1.0 N A:GLN15 4.2 20.2 1.0 CG1 A:VAL16 4.2 36.1 1.0 CA A:GLN15 4.3 16.2 1.0 N A:VAL16 4.4 20.1 1.0 CB A:GLN15 4.5 19.0 1.0 CA A:VAL16 4.6 26.5 1.0 HG2 A:GLN15 4.9 25.3 1.0 HG11 A:VAL16 5.0 43.3 1.0

Calcium binding site 2 out of 3 in the Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Boronic Acid-Based Compound Z27 Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Boronic Acid-Based Compound Z27 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:19.0 occ:0.76 OE1 A:GLN83 2.3 21.0 1.0 O A:HOH498 2.4 20.2 1.0 O A:HOH494 2.4 21.1 1.0 OH A:TYR116 2.6 25.4 1.0 HB2 A:GLN83 3.2 16.4 1.0 CD A:GLN83 3.4 24.0 1.0 HE2 A:TYR116 3.7 23.9 1.0 CZ A:TYR116 3.8 19.5 1.0 HB3 A:LYS79 3.9 17.1 1.0 CB A:GLN83 4.0 13.7 1.0 HG3 A:GLN83 4.0 18.8 1.0 CG A:GLN83 4.1 15.6 1.0 O A:HOH497 4.1 36.4 1.0 CE2 A:TYR116 4.2 19.9 1.0 O A:LYS79 4.3 15.5 1.0 HB3 A:GLN83 4.4 16.4 1.0 NE2 A:GLN83 4.5 24.8 1.0 HE22 A:GLN83 4.6 29.7 1.0 OD2 A:ASP115 4.7 30.1 1.0 HB3 A:ASP115 4.8 29.7 1.0 CB A:LYS79 4.9 14.3 1.0 HA A:ARG80 4.9 15.1 1.0 O A:HOH536 4.9 20.7 1.0 C A:LYS79 4.9 14.9 1.0 HD2 A:LYS79 4.9 30.0 1.0 CE1 A:TYR116 4.9 24.5 1.0 H A:GLN83 4.9 15.5 1.0 O A:HOH578 5.0 28.8 1.0

Calcium binding site 3 out of 3 in the Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Boronic Acid-Based Compound Z27 Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Boronic Acid-Based Compound Z27 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:23.9 occ:0.66 O A:HOH614 2.2 48.7 1.0 O A:LYS114 2.3 21.7 1.0 O A:HOH587 2.4 45.9 1.0 O A:HOH603 2.6 39.2 1.0 O B:HOH488 2.6 34.3 1.0 C A:LYS114 3.5 20.9 1.0 HG3 A:PRO117 3.8 30.3 1.0 HD3 A:PRO117 3.9 23.4 1.0 HH B:TYR218 3.9 42.9 1.0 HA A:LYS114 3.9 23.8 1.0 HG2 A:LYS114 4.0 24.8 1.0 HA A:ASP115 4.0 22.9 1.0 O B:HOH571 4.1 33.9 1.0 HG3 A:LYS114 4.3 24.8 1.0 CA A:LYS114 4.3 19.8 1.0 CD A:PRO117 4.5 19.5 1.0 HD2 A:PRO117 4.5 23.4 1.0 CG A:PRO117 4.5 25.2 1.0 N A:ASP115 4.5 18.7 1.0 CG A:LYS114 4.6 20.6 1.0 HE3 B:LYS217 4.6 64.5 1.0 OH B:TYR218 4.6 35.8 1.0 CA A:ASP115 4.7 19.1 1.0 HZ1 B:LYS217 4.8 67.7 1.0 O A:LEU113 4.8 18.5 1.0 HZ2 B:LYS217 4.9 67.7 1.0 C A:ASP115 5.0 21.2 1.0

M.Fellner, M.Fellner. N/A N/A.