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

Protein crystallography data

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

Other elements in 8tav:

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

Calcium Binding Sites:

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 8tav

Go back to Calcium Binding Sites List in 8tav
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 8tav

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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 8tav

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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 8tav

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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 8tav

Go back to Calcium Binding Sites List in 8tav
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

Reference:

M.Fellner, M.Fellner. N/A N/A.
Page generated: Thu Jul 10 07:28:38 2025

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