Calcium in PDB 8uwm: Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Borolane-Based Compound Q41 Bound

The structure of Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Borolane-Based Compound Q41 Bound, PDB code: 8uwm was solved by M.Fellner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.80 / 1.97
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.887, 77.993, 110.457, 90, 90, 90
R / Rfree (%)	16.8 / 20.4

The binding sites of Calcium atom in the Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Borolane-Based Compound Q41 Bound (pdb code 8uwm). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Borolane-Based Compound Q41 Bound, PDB code: 8uwm:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Borolane-Based Compound Q41 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, Borolane-Based Compound Q41 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:36.7 occ:0.92 O A:HOH488 2.2 44.7 0.9 OE1 A:GLU157 2.4 39.8 1.0 OE2 A:GLU154 2.4 38.3 1.0 OE1 A:GLU154 2.5 37.3 1.0 CD A:GLU154 2.8 38.3 1.0 CD A:GLU157 3.5 45.9 1.0 O A:HOH416 3.9 49.6 1.0 OE2 A:GLU157 4.0 55.0 1.0 HA A:GLU154 4.1 40.1 1.0 HG22 A:THR153 4.3 44.7 1.0 O A:HOH470 4.3 49.7 1.0 CG A:GLU154 4.3 36.3 1.0 HB2 A:GLU157 4.5 40.0 1.0 O A:HOH441 4.5 35.1 1.0 O A:HOH450 4.5 37.3 1.0 HG2 A:GLU154 4.7 43.7 1.0 HB3 A:GLU157 4.7 40.0 1.0 HG3 A:GLU154 4.7 43.7 1.0 CG A:GLU157 4.8 41.1 1.0 CB A:GLU157 4.9 33.2 1.0 CA A:GLU154 5.0 33.4 1.0

Calcium binding site 2 out of 4 in the Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Borolane-Based Compound Q41 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, Borolane-Based Compound Q41 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:75.9 occ:1.00 O B:HOH516 2.2 74.1 1.0 O A:HOH460 2.3 52.6 1.0 O A:HOH434 2.3 52.0 1.0 O A:HOH502 2.7 60.0 1.0 O A:GLY57 2.7 40.4 1.0 C A:GLY57 3.8 45.0 1.0 H A:GLY57 3.8 49.6 1.0 N A:GLY57 4.0 41.2 1.0 O A:SER59 4.1 40.0 1.0 CA A:GLY57 4.3 41.4 1.0 HA2 A:GLY57 4.4 49.8 1.0 O A:HOH452 4.4 43.4 1.0 C A:TYR56 4.4 39.5 1.0 HA A:TYR56 4.5 40.5 1.0 HA A:GLU58 4.9 56.9 1.0 O A:TYR56 4.9 37.6 1.0 N A:GLU58 4.9 38.5 1.0 CA A:TYR56 5.0 33.7 1.0 OD2 B:ASP67 5.0 72.5 1.0

Calcium binding site 3 out of 4 in the Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Borolane-Based Compound Q41 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, Borolane-Based Compound Q41 Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:62.4 occ:0.99 O A:HOH500 2.4 52.3 1.0 O B:HOH506 2.4 45.2 1.0 O B:HOH504 2.4 55.0 1.0 O B:HOH497 2.4 49.7 1.0 O B:GLY57 2.5 31.9 1.0 O B:SER59 2.5 31.4 1.0 C B:GLY57 3.6 32.3 1.0 O B:HOH468 3.7 42.0 1.0 C B:SER59 3.7 33.1 1.0 HA B:GLU60 3.8 46.3 1.0 HA B:GLU58 3.9 38.9 1.0 HB3 B:GLU60 4.0 53.0 1.0 C B:GLU58 4.2 30.6 1.0 HB2 B:GLU60 4.3 53.0 1.0 N B:SER59 4.3 30.4 1.0 CA B:GLU58 4.4 32.3 1.0 CA B:GLU60 4.4 38.5 1.0 N B:GLU58 4.4 31.5 1.0 CB B:GLU60 4.4 44.1 1.0 O B:HOH471 4.5 47.8 1.0 H B:SER59 4.5 36.6 1.0 O B:TYR56 4.5 27.8 1.0 N B:GLU60 4.6 32.8 1.0 C B:TYR56 4.6 32.3 1.0 O B:GLU58 4.6 31.9 1.0 N B:GLY57 4.6 30.0 1.0 CA B:GLY57 4.6 32.6 1.0 CA B:SER59 4.7 30.4 1.0 OD1 A:ASP67 4.8 66.8 1.0 H B:GLY57 4.9 36.1 1.0 HA2 B:GLY57 5.0 39.3 1.0

Calcium binding site 4 out of 4 in the Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Borolane-Based Compound Q41 Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Fphe, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases E, Borolane-Based Compound Q41 Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:57.1 occ:1.00 O B:THR132 2.4 31.0 1.0 O B:HOH443 2.5 45.9 1.0 O B:HOH503 2.5 44.9 1.0 O B:HOH501 2.7 51.4 1.0 HA B:PHE133 3.3 43.3 1.0 C B:THR132 3.6 37.7 1.0 HB3 B:SER137 3.8 47.3 1.0 HG22 B:THR132 3.8 46.4 1.0 HB2 B:SER137 4.0 47.3 1.0 CA B:PHE133 4.2 36.0 1.0 CB B:SER137 4.3 39.3 1.0 O A:HOH421 4.3 49.3 1.0 N B:PHE133 4.4 33.3 1.0 O B:HOH508 4.4 50.0 1.0 HA B:THR132 4.5 39.6 1.0 OG B:SER137 4.7 40.0 1.0 CG2 B:THR132 4.7 38.6 1.0 CA B:THR132 4.7 33.0 1.0 C B:PHE133 4.7 37.7 1.0 O B:LEU134 4.8 36.4 1.0 HG23 B:THR132 4.8 46.4 1.0

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