Calcium in PDB 8ftp: Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form

The structure of Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form, PDB code: 8ftp was solved by M.Fellner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.85 / 1.37
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	85.149, 87.837, 164.696, 90, 90, 90
R / Rfree (%)	15.3 / 16.4

The binding sites of Calcium atom in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form (pdb code 8ftp). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form, PDB code: 8ftp:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:25.1 occ:0.85 O A:HOH627 2.4 42.2 1.0 O A:HOH529 2.4 47.4 1.0 O A:HOH428 2.4 29.6 1.0 OD1 A:ASP206 2.5 26.6 1.0 CG A:ASP206 3.6 25.3 1.0 OD2 A:ASP206 4.0 31.0 1.0 O A:HOH611 4.2 42.7 1.0 HA A:ASP206 4.3 22.3 1.0 O A:ASP206 4.3 20.4 1.0 O A:HOH558 4.4 32.0 1.0 OD1 A:ASP208 4.6 26.8 1.0 O A:HOH471 4.7 19.8 1.0 O A:HOH580 4.7 40.9 1.0 CB A:ASP206 4.9 19.6 1.0 CA A:ASP206 4.9 18.6 1.0 C A:ASP206 5.0 18.0 1.0

Calcium binding site 2 out of 8 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:28.6 occ:0.89 OE1 A:GLN82 2.3 29.8 1.0 O A:HOH635 2.3 46.1 1.0 O B:HOH629 2.4 44.7 1.0 O A:HOH499 2.4 28.3 1.0 O A:HOH410 2.4 35.0 1.0 O A:HOH631 2.4 35.9 1.0 O A:HOH636 2.5 48.2 1.0 CD A:GLN82 3.5 26.7 1.0 HB3 A:GLN82 3.8 25.9 1.0 HE22 A:GLN82 4.0 35.9 1.0 HE2 A:PHE10 4.2 24.6 1.0 HA A:GLN82 4.2 27.1 1.0 NE2 A:GLN82 4.2 29.9 1.0 CB A:GLN82 4.5 21.6 1.0 O B:HOH599 4.5 74.5 1.0 CG A:GLN82 4.6 22.5 1.0 OE2 A:GLU12 4.6 27.5 1.0 O A:GLN82 4.6 26.6 1.0 OE1 A:GLU12 4.6 26.1 1.0 CA A:GLN82 4.8 22.6 1.0 HG3 A:GLN82 4.9 27.0 1.0

Calcium binding site 3 out of 8 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:61.5 occ:0.85 O A:HOH559 2.3 39.3 1.0 O A:HOH403 2.3 48.9 1.0 O A:HOH586 2.4 44.1 1.0 O A:GLU173 2.4 30.0 1.0 OD1 A:ASP176 2.5 38.0 1.0 O A:HOH662 2.6 62.3 1.0 OD2 A:ASP176 2.9 48.5 1.0 CG A:ASP176 3.0 31.9 1.0 C A:GLU173 3.7 25.1 1.0 HA A:GLN174 3.9 25.8 1.0 O A:HOH633 4.0 39.7 1.0 O A:HOH563 4.0 33.8 1.0 HG3 A:GLU177 4.0 24.2 1.0 O A:HOH663 4.0 44.2 1.0 HB3 A:GLU173 4.2 34.6 1.0 OE2 A:GLU177 4.3 32.2 1.0 H A:ASP176 4.4 24.4 1.0 HA A:GLU173 4.4 28.3 1.0 CB A:ASP176 4.5 23.0 1.0 N A:GLN174 4.6 21.0 1.0 CA A:GLU173 4.6 23.6 1.0 CA A:GLN174 4.6 21.5 1.0 HB3 A:ASP176 4.8 27.6 1.0 CG A:GLU177 4.8 20.2 1.0 CB A:GLU173 4.9 28.9 1.0 HG2 A:GLU177 5.0 24.2 1.0

Calcium binding site 4 out of 8 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:21.6 occ:0.71 O A:HOH638 2.1 30.8 1.0 OD1 A:ASP209 2.3 21.1 1.0 O A:HOH571 2.3 20.4 1.0 O A:HOH614 2.3 31.4 1.0 O A:HOH421 2.4 28.9 1.0 O A:HOH553 2.5 19.2 0.5 CG A:ASP209 3.2 24.1 1.0 OD2 A:ASP209 3.6 26.4 1.0 HD1 A:PHE238 3.8 20.4 1.0 HB2 A:ASN211 3.9 28.9 1.0 HE1 A:PHE238 4.2 19.2 1.0 O A:HOH589 4.4 31.9 1.0 OG A:SER241 4.4 24.3 1.0 N A:LYS210 4.5 15.5 1.0 CB A:ASP209 4.5 17.9 1.0 H A:LYS210 4.6 18.6 1.0 HB3 A:ASN211 4.6 28.9 1.0 CD1 A:PHE238 4.6 17.0 1.0 C A:ASP209 4.6 15.8 1.0 CB A:ASN211 4.7 24.1 1.0 HA A:LYS210 4.8 18.8 1.0 HA A:ASP209 4.8 18.6 1.0 CE1 A:PHE238 4.8 16.0 1.0 C A:LYS210 4.8 14.8 1.0 O A:HOH581 4.8 43.8 1.0 O A:LYS210 4.9 16.6 1.0 HB3 A:ASP209 4.9 21.4 1.0 CA A:ASP209 4.9 15.4 1.0 HG A:SER241 4.9 29.2 1.0 HB3 A:PRO181 4.9 18.5 1.0 O A:ASP209 5.0 15.3 1.0 HB2 A:SER241 5.0 26.9 1.0 CA A:LYS210 5.0 15.7 1.0

Calcium binding site 5 out of 8 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form


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, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:20.4 occ:0.70 O B:HOH465 2.3 28.1 1.0 O B:HOH560 2.4 37.8 1.0 O B:HOH550 2.4 42.9 1.0 OD1 B:ASP206 2.5 25.5 1.0 CG B:ASP206 3.6 23.2 1.0 OD2 B:ASP206 4.1 32.6 1.0 O B:HOH600 4.3 40.3 1.0 HA B:ASP206 4.3 22.6 1.0 O B:HOH462 4.3 32.0 1.0 O B:ASP206 4.4 20.4 1.0 O B:HOH459 4.6 18.4 1.0 O B:HOH591 4.6 52.0 1.0 OD1 B:ASP208 4.8 23.3 1.0 CB B:ASP206 4.9 20.3 1.0 CA B:ASP206 4.9 18.8 1.0 O B:HOH484 5.0 32.4 1.0

Calcium binding site 6 out of 8 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:22.1 occ:0.69 O B:HOH428 2.2 31.9 1.0 O B:HOH576 2.3 32.2 1.0 OD2 B:ASP209 2.3 28.3 1.0 O B:HOH549 2.3 30.6 1.0 O B:HOH535 2.4 20.1 1.0 O B:HOH475 2.4 17.5 0.5 CG B:ASP209 3.3 21.8 1.0 OD1 B:ASP209 3.5 22.2 1.0 HD1 B:PHE238 3.8 20.5 1.0 HB3 B:ASN211 3.9 29.6 1.0 OG B:SER241 4.2 23.4 1.0 HE1 B:PHE238 4.2 19.4 1.0 O B:HOH461 4.3 36.6 1.0 OD1 B:ASN211 4.5 36.0 1.0 CD1 B:PHE238 4.6 17.1 1.0 N B:LYS210 4.6 14.4 1.0 CB B:ASP209 4.6 17.7 1.0 H B:LYS210 4.6 17.3 1.0 C B:ASP209 4.7 15.1 1.0 HG B:SER241 4.7 28.1 1.0 CB B:ASN211 4.8 24.6 1.0 CE1 B:PHE238 4.8 16.2 1.0 HB2 B:SER241 4.8 28.7 1.0 CG B:ASN211 4.8 28.4 1.0 O B:LYS210 4.8 16.3 1.0 C B:LYS210 4.8 14.7 1.0 HA B:ASP209 4.8 18.0 1.0 HA B:LYS210 4.8 18.6 1.0 CA B:ASP209 5.0 15.0 1.0 HB3 B:PRO181 5.0 17.7 1.0

Calcium binding site 7 out of 8 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:28.3 occ:0.79 OE1 B:GLN82 2.2 28.3 1.0 O B:HOH602 2.4 48.4 1.0 O B:HOH449 2.4 32.2 1.0 O B:HOH431 2.4 35.5 1.0 O B:HOH589 2.4 41.7 1.0 O B:HOH608 2.5 43.1 1.0 CD B:GLN82 3.4 32.6 1.0 HE22 B:GLN82 3.9 39.7 1.0 HB3 B:GLN82 3.9 27.8 1.0 NE2 B:GLN82 4.1 33.1 1.0 HE2 B:PHE10 4.1 24.3 1.0 HA B:GLN82 4.2 30.3 1.0 CG B:GLN82 4.5 25.7 1.0 CB B:GLN82 4.6 23.1 1.0 OE1 B:GLU12 4.6 27.6 1.0 OE2 B:GLU12 4.6 26.6 1.0 O B:GLN82 4.7 28.4 1.0 HG3 B:GLN82 4.8 30.9 1.0 CA B:GLN82 4.9 25.3 1.0 HE21 B:GLN82 4.9 39.7 1.0

Calcium binding site 8 out of 8 in the Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Fphh, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases H, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca304 b:31.7 occ:0.70 O B:HOH467 2.2 37.7 1.0 O B:HOH525 2.2 33.9 1.0 O B:HOH599 2.2 74.5 1.0 O B:GLU173 2.4 30.3 1.0 O B:HOH532 2.4 45.2 1.0 O B:HOH504 2.5 52.1 1.0 OD1 B:ASP176 2.5 34.1 1.0 OD2 B:ASP176 2.5 39.6 1.0 CG B:ASP176 2.9 28.6 1.0 C B:GLU173 3.6 25.3 1.0 HA B:GLN174 3.9 26.8 1.0 O B:HOH464 4.0 36.5 1.0 HB3 B:GLU173 4.1 34.5 1.0 O B:HOH604 4.2 42.2 1.0 HA B:GLU173 4.2 30.8 1.0 O B:HOH629 4.2 44.7 1.0 HG3 B:GLU177 4.3 26.4 1.0 H B:ASP176 4.3 24.1 1.0 CB B:ASP176 4.4 24.1 1.0 CA B:GLU173 4.4 25.7 1.0 N B:GLN174 4.5 23.5 1.0 OE2 B:GLU177 4.6 35.0 1.0 CA B:GLN174 4.6 22.3 1.0 HB3 B:ASP176 4.6 29.0 1.0 CB B:GLU173 4.8 28.8 1.0 HB2 B:ASP176 4.8 29.0 1.0 OE1 B:GLU173 4.9 40.3 1.0

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