Calcium in PDB 9c0l: Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Crystal Form 2

The structure of Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Crystal Form 2, PDB code: 9c0l was solved by M.Fellner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.66 / 1.79
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.898, 60.898, 164.513, 90, 90, 90
R / Rfree (%)	18.4 / 21.4

The binding sites of Calcium atom in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Crystal Form 2 (pdb code 9c0l). 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 Crystal Form 2, PDB code: 9c0l:
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 Crystal Form 2


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 Crystal Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:29.3 occ:0.62 O A:HOH421 2.3 36.5 1.0 O A:HOH511 2.3 34.4 1.0 O A:HOH418 2.3 32.5 1.0 O A:HOH420 2.3 36.1 1.0 OD1 A:ASP209 2.4 33.5 1.0 O A:HOH466 2.4 28.1 0.5 OD1 A:ASN211 2.9 40.5 0.4 CG A:ASP209 3.4 36.1 1.0 OD2 A:ASP209 3.7 41.9 1.0 CG A:ASN211 3.9 32.6 0.4 OG A:SER241 4.3 29.4 1.0 ND2 A:ASN211 4.5 29.4 0.4 CD1 A:PHE238 4.5 27.2 1.0 N A:LYS210 4.6 25.7 1.0 CB A:ASN211 4.6 31.5 0.6 C A:ASP209 4.7 25.0 1.0 CB A:ASP209 4.7 30.4 1.0 CE1 A:PHE238 4.7 26.7 1.0 C A:LYS210 4.8 27.1 1.0 O A:LYS210 4.8 27.5 1.0 CB A:ASN211 4.9 29.9 0.4 CA A:LYS210 5.0 28.4 1.0 O A:ASP209 5.0 27.3 1.0

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


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 Crystal Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:35.8 occ:0.77 O A:HOH520 2.3 52.4 1.0 O A:HOH410 2.3 39.1 1.0 O A:HOH486 2.3 47.5 1.0 OD1 A:ASP206 2.6 42.2 1.0 CG A:ASP206 3.7 37.0 1.0 OD2 A:ASP206 4.3 42.8 1.0 O A:ASP206 4.4 30.0 1.0 OD1 A:ASP208 4.6 33.5 1.0 O A:HOH433 4.6 30.0 1.0 CA A:ASP206 4.9 28.4 1.0 CB A:ASP206 4.9 29.9 1.0 C A:ASP206 4.9 29.4 1.0

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


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 Crystal Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:39.1 occ:0.93 OE1 A:GLN82 2.2 41.1 1.0 O A:HOH440 2.4 37.9 1.0 O A:HOH523 2.4 46.3 1.0 O A:HOH516 2.4 49.8 1.0 O A:HOH405 2.5 41.7 1.0 O A:HOH514 2.5 47.5 1.0 CD A:GLN82 3.4 39.3 1.0 NE2 A:GLN82 4.2 40.0 1.0 CB A:GLN82 4.5 32.3 1.0 CG A:GLN82 4.5 34.2 1.0 OE2 A:GLU12 4.5 37.0 1.0 OE1 A:GLU12 4.6 37.7 1.0 O A:GLN82 4.6 33.5 1.0 CA A:GLN82 4.8 35.9 1.0 CD A:GLU12 5.0 37.0 1.0

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


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 Crystal Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:52.4 occ:0.71 O A:HOH502 2.3 51.1 1.0 O A:HOH428 2.4 58.5 1.0 O A:GLU173 2.4 40.0 1.0 OD1 A:ASP176 2.4 48.5 1.0 OD2 A:ASP176 2.6 54.7 1.0 CG A:ASP176 2.9 43.5 1.0 C A:GLU173 3.6 40.8 1.0 O A:HOH533 3.9 49.6 1.0 OE1 A:GLU177 4.1 44.5 1.0 CB A:ASP176 4.4 37.4 1.0 CA A:GLN174 4.4 35.9 1.0 CG A:GLU177 4.4 35.4 1.0 N A:GLN174 4.5 33.7 1.0 CA A:GLU173 4.6 38.8 1.0 O A:HOH448 4.8 46.3 1.0 CD A:GLU177 4.8 41.7 1.0 C A:GLN174 4.8 33.4 1.0 N A:ASP176 4.9 31.4 1.0 CB A:GLU173 4.9 44.2 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