Calcium in PDB 9c0m: Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form 2 at Room Temperature

The structure of Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form 2 at Room Temperature, PDB code: 9c0m was solved by M.Fellner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.61 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.285, 62.285, 164.094, 90, 90, 90
R / Rfree (%)	17.4 / 21.6

The binding sites of Calcium atom in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form 2 at Room Temperature (pdb code 9c0m). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form 2 at Room Temperature, PDB code: 9c0m:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form 2 at Room Temperature


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, Apo Form 2 at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:59.5 occ:0.36 O A:HOH436 2.0 57.6 1.0 O A:HOH435 2.2 53.3 0.5 O A:HOH453 2.2 64.7 1.0 O A:HOH421 2.3 66.2 1.0 O A:HOH449 2.4 58.9 1.0 OD1 A:ASP209 2.4 53.4 1.0 CG A:ASP209 3.5 51.8 1.0 OD2 A:ASP209 3.9 53.8 1.0 OD1 A:ASN211 4.2 75.0 1.0 CB A:ASN211 4.5 62.0 1.0 O A:LYS210 4.5 48.5 1.0 N A:LYS210 4.6 49.8 1.0 OG A:SER241 4.7 52.2 1.0 C A:ASP209 4.7 49.3 1.0 C A:LYS210 4.7 46.3 1.0 CG A:ASN211 4.7 69.4 1.0 CD1 A:PHE238 4.7 48.3 1.0 CB A:ASP209 4.8 47.6 1.0 CE1 A:PHE238 4.8 44.1 1.0 CA A:LYS210 5.0 48.4 1.0

Calcium binding site 2 out of 4 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form 2 at Room Temperature


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, Apo Form 2 at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:76.9 occ:0.59 O A:HOH417 2.4 62.4 1.0 O A:HOH467 2.4 84.1 1.0 OD1 A:ASP206 2.4 74.4 1.0 O A:HOH463 2.5 71.1 1.0 O A:HOH466 2.6 76.5 1.0 CG A:ASP206 3.5 68.4 1.0 OD2 A:ASP206 3.9 72.3 1.0 O A:HOH429 4.4 68.8 1.0 O A:ASP206 4.6 56.4 1.0 CB A:ASP206 4.8 54.8 1.0 CA A:ASP206 4.9 56.4 1.0 OD1 A:ASP208 5.0 60.0 1.0

Calcium binding site 3 out of 4 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form 2 at Room Temperature


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, Apo Form 2 at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:82.2 occ:0.44 NE2 A:GLN82 2.4 79.9 1.0 O A:HOH469 2.4 87.5 1.0 O A:HOH403 2.5 84.6 1.0 O A:HOH458 2.6 90.6 1.0 O A:HOH423 2.8 88.6 1.0 OE2 A:GLU12 3.4 74.8 1.0 CD A:GLN82 3.6 70.2 1.0 OE1 A:GLU12 4.0 80.3 1.0 CD A:GLU12 4.0 76.9 1.0 OE1 A:GLN82 4.1 71.2 1.0 CG A:GLN82 4.6 66.1 1.0 CE2 A:PHE10 4.6 64.4 1.0

Calcium binding site 4 out of 4 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form 2 at Room Temperature


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, Apo Form 2 at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:95.1 occ:0.99 O A:GLU173 2.5 80.9 1.0 OD2 A:ASP176 2.5 87.8 1.0 O A:HOH464 2.6 98.6 1.0 O A:HOH441 2.7 89.1 1.0 OD1 A:ASP176 2.7 88.6 1.0 CG A:ASP176 2.9 83.0 1.0 O A:HOH462 3.6 82.8 1.0 C A:GLU173 3.7 79.4 1.0 OE2 A:GLU177 3.8 81.8 1.0 CB A:ASP176 4.5 63.1 1.0 CA A:GLN174 4.6 72.5 1.0 N A:GLN174 4.6 72.0 1.0 CA A:GLU173 4.6 80.7 1.0 CG A:GLU177 4.7 70.8 1.0 CD A:GLU177 4.7 77.9 1.0 CB A:GLU173 4.8 87.9 1.0

M.Fellner, G.Randall, I.R.C.G.Bitac, A.K.Warrender, A.Sethi, R.Jelinek, I.Kass. Similar But Distinct-Biochemical Characterization of the Staphylococcus Aureus Serine Hydrolases Fphh and Fphi. Proteins 2024.
ISSN: ESSN 1097-0134
PubMed: 39726198
DOI: 10.1002/PROT.26785