Calcium in PDB 8tav: Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound

The structure of Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound, PDB code: 8tav was solved by M.Fellner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.65 / 1.39
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	67.381, 67.381, 55.473, 90, 90, 90
R / Rfree (%)	16 / 18.3

The structure of Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound also contains other interesting chemical elements:

Fluorine

(F)

9 atoms

The binding sites of Calcium atom in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound (pdb code 8tav). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound, PDB code: 8tav:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:23.3 occ:0.87 O A:ASP206 2.3 21.0 1.0 OD1 A:ASP208 2.4 24.7 1.0 OD1 A:ASP206 2.4 24.3 1.0 O A:HOH554 2.4 26.5 0.9 O A:HOH599 2.4 34.0 0.9 O A:HOH594 2.5 30.9 0.9 O A:HOH491 2.5 25.5 0.9 CG A:ASP206 3.3 21.7 1.0 C A:ASP206 3.4 17.2 1.0 CG A:ASP208 3.5 28.2 1.0 HA A:ASP206 3.6 20.0 1.0 CA A:ASP206 3.9 16.7 1.0 OD2 A:ASP206 4.0 25.9 1.0 HA A:ASP208 4.1 24.2 1.0 CB A:ASP206 4.1 20.8 1.0 OD2 A:ASP208 4.2 31.8 1.0 N A:ASP208 4.3 20.1 1.0 H A:ASP208 4.4 24.1 1.0 C A:SER207 4.4 18.6 1.0 HB3 A:ASP206 4.5 24.9 1.0 CA A:ASP208 4.5 20.1 1.0 N A:SER207 4.6 16.7 1.0 O A:HOH442 4.6 20.0 1.0 CB A:ASP208 4.6 22.9 1.0 O A:HOH447 4.6 38.4 0.9 O A:HOH499 4.7 20.6 1.0 HD23 A:LEU179 4.8 37.7 1.0 O A:SER207 4.8 18.8 1.0 HA A:SER207 4.9 21.2 1.0 CA A:SER207 4.9 17.6 1.0 HB2 A:ASP206 4.9 24.9 1.0

Calcium binding site 2 out of 5 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:22.6 occ:0.92 O A:HOH512 2.3 24.5 0.9 OE1 A:GLU146 2.3 30.1 1.0 O A:HOH473 2.4 22.7 0.9 O A:HOH439 2.4 27.5 0.9 CD A:GLU146 3.3 28.8 1.0 OE2 A:GLU146 3.7 34.8 1.0 O A:HOH621 3.9 45.7 0.9 HB3 A:GLU146 4.2 32.5 1.0 O A:HOH546 4.3 44.4 0.9 CG A:GLU146 4.6 27.5 1.0 OG1 A:THR147 4.6 26.3 1.0 HG2 A:GLU146 4.8 33.0 1.0 HD21 A:ASN150 4.8 41.6 1.0 HG1 A:THR147 4.9 31.5 1.0 CB A:GLU146 4.9 27.1 1.0 HD22 A:ASN150 4.9 41.6 1.0 OD2 A:ASP144 5.0 26.5 1.0 O A:HOH508 5.0 31.4 1.0

Calcium binding site 3 out of 5 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca306 b:25.3 occ:0.97 O A:HOH517 2.1 38.4 1.0 OE1 A:GLN82 2.2 28.2 1.0 O A:HOH625 2.3 37.2 1.0 O A:HOH406 2.3 34.9 1.0 O A:HOH525 2.4 23.9 1.0 O A:HOH590 2.5 33.7 1.0 O A:HOH579 2.5 27.2 1.0 O A:HOH604 3.4 36.0 1.0 CD A:GLN82 3.4 27.0 1.0 HB3 A:GLN82 3.8 25.2 1.0 HA A:GLN82 4.0 23.3 1.0 HE22 A:GLN82 4.0 34.6 1.0 NE2 A:GLN82 4.2 28.8 1.0 CB A:GLN82 4.5 21.0 1.0 HE2 A:PHE10 4.5 29.8 1.0 O A:GLN82 4.5 22.3 1.0 OE2 A:GLU12 4.5 32.3 1.0 CG A:GLN82 4.5 22.2 1.0 O A:HOH593 4.5 43.4 1.0 OE1 A:GLU12 4.6 29.9 1.0 CA A:GLN82 4.6 19.4 1.0 HG3 A:GLN82 4.8 26.6 1.0 CD A:GLU12 5.0 33.6 1.0 HE21 A:GLN82 5.0 34.6 1.0

Calcium binding site 4 out of 5 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca307 b:32.0 occ:0.99 O A:HOH476 2.3 39.1 1.0 OD2 A:ASP153 2.4 33.4 1.0 O A:HOH509 2.4 41.4 1.0 OD2 A:ASP149 2.5 32.7 1.0 OD1 A:ASP149 2.5 31.9 1.0 CG A:ASP149 2.9 29.4 1.0 CG A:ASP153 3.2 29.1 1.0 OD1 A:ASP153 3.2 33.7 1.0 CB A:ASP149 4.4 27.6 1.0 O A:ASP149 4.6 27.4 1.0 CB A:ASP153 4.6 28.9 1.0 HB2 A:ASP153 4.8 34.6 1.0 HB3 A:ASP149 4.8 33.0 1.0 HB2 A:ASP149 4.8 33.0 1.0 C A:ASP149 4.9 27.1 1.0 HB3 A:ASP153 4.9 34.6 1.0

Calcium binding site 5 out of 5 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Boronic Acid-Based Compound N34 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca308 b:18.2 occ:1.00 OE2 A:GLU13 2.2 25.0 1.0 O A:HOH506 2.4 27.1 1.0 O A:HOH444 2.5 24.6 1.0 OE1 A:GLU13 2.5 24.3 1.0 CD A:GLU13 2.7 18.0 1.0 HE21 A:GLN39 4.1 29.9 1.0 O A:HOH591 4.2 27.2 0.9 HA A:GLU13 4.2 20.9 1.0 CG A:GLU13 4.2 36.7 1.0 O A:GLU12 4.4 22.3 1.0 HG2 A:GLU13 4.4 44.0 1.0 NE2 A:GLN39 4.6 24.9 1.0 HG3 A:GLN39 4.6 23.1 1.0 HG3 A:GLU13 4.7 44.0 1.0 HE22 A:GLN39 4.9 29.9 1.0

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