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Calcium in PDB 9c0n: Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form at Room Temperature

Enzymatic activity of Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form at Room Temperature

All present enzymatic activity of Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form at Room Temperature:
3.1.1.1;

Protein crystallography data

The structure of Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form at Room Temperature, PDB code: 9c0n was solved by M.Fellner, G.T.Randall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.06 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.656, 61.736, 77.177, 90, 90, 90
R / Rfree (%) 14.9 / 17

Calcium Binding Sites:

The binding sites of Calcium atom in the Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form at Room Temperature (pdb code 9c0n). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form at Room Temperature, PDB code: 9c0n:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 9c0n

Go back to Calcium Binding Sites List in 9c0n
Calcium binding site 1 out of 4 in the Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form 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 Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form at Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:29.9
occ:0.57
 O A:HOH479 2.2 30.2 1.0
OD1 A:ASN40 2.4 26.3 1.0
OD1 A:ASP41 2.5 43.9 1.0
CG A:ASN40 3.5 26.5 1.0
CG A:ASP41 3.6 40.5 1.0
HB3 A:ASN40 3.8 27.6 1.0
HA A:ASP41 3.8 36.7 1.0
CB A:ASN40 4.2 23.0 1.0
N A:ASP41 4.2 27.4 1.0
OD2 A:ASP41 4.3 46.9 1.0
HD22 A:LEU11 4.4 43.4 1.0
C A:ASN40 4.4 28.5 1.0
H A:ASP41 4.4 32.9 1.0
CA A:ASP41 4.4 30.5 1.0
O A:ASN40 4.6 28.6 1.0
O A:ALA37 4.6 25.1 1.0
ND2 A:ASN40 4.6 27.3 1.0
HD21 A:ASN40 4.6 32.8 1.0
CB A:ASP41 4.6 30.0 1.0
CA A:ASN40 5.0 23.5 1.0
HB2 A:ASN40 5.0 27.6 1.0

Calcium binding site 2 out of 4 in 9c0n

Go back to Calcium Binding Sites List in 9c0n
Calcium binding site 2 out of 4 in the Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form 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 Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form at Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:35.1
occ:0.65
 O A:HOH512 2.2 55.9 1.0
O A:HOH416 2.4 47.6 1.0
OE2 A:GLU38 2.5 43.6 1.0
O A:HOH477 2.5 40.4 1.0
OE1 A:GLU38 2.6 35.8 1.0
CD A:GLU38 2.9 36.5 1.0
CG A:GLU38 4.4 28.5 1.0
O A:HOH454 4.5 38.1 1.0
HG3 A:GLU38 4.7 34.2 1.0
HG2 A:GLU38 4.8 34.2 1.0
O A:HOH458 4.8 44.5 1.0
HA A:GLU38 4.9 30.0 1.0

Calcium binding site 3 out of 4 in 9c0n

Go back to Calcium Binding Sites List in 9c0n
Calcium binding site 3 out of 4 in the Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form 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 Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form at Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca303

b:45.0
occ:0.63
 O A:HOH447 2.3 53.3 1.0
OE2 A:GLU196 2.5 50.6 1.0
OE1 A:GLU196 2.6 40.0 1.0
CD A:GLU196 2.9 48.3 1.0
O A:HOH403 3.8 43.7 1.0
O A:HOH511 3.9 60.0 1.0
CG A:GLU196 4.4 33.3 1.0
HG2 A:GLU196 4.7 40.0 1.0
HG3 A:GLU196 4.8 40.0 1.0

Calcium binding site 4 out of 4 in 9c0n

Go back to Calcium Binding Sites List in 9c0n
Calcium binding site 4 out of 4 in the Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form 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 Fphi, Staphylococcus Aureus Fluorophosphonate-Binding Serine Hydrolases I, Apo Form at Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca304

b:79.1
occ:0.99
 OE1 A:GLU161 2.3 44.1 0.5
OE2 A:GLU161 2.5 56.9 0.5
O A:HOH501 2.6 65.0 1.0
O A:ASP157 2.6 56.9 1.0
O A:HOH506 2.8 63.4 1.0
CD A:GLU161 2.8 45.0 0.5
HG2 A:GLU161 3.2 53.5 0.5
O A:HOH514 3.3 65.1 1.0
O A:HOH436 3.4 58.5 1.0
HA A:TYR158 3.5 65.1 1.0
C A:ASP157 3.8 63.4 1.0
CG A:GLU161 4.1 44.5 0.5
HG3 A:GLU161 4.1 53.5 0.5
HB3 A:ASP157 4.2 77.2 1.0
CG A:GLU161 4.3 44.8 0.5
H A:GLU161 4.3 53.5 0.5
CA A:TYR158 4.3 54.2 1.0
H A:GLU161 4.3 53.5 0.5
HD1 A:TYR158 4.4 57.4 1.0
OE2 A:GLU161 4.5 56.9 0.5
HG3 A:GLU161 4.5 53.8 0.5
H A:GLY160 4.5 58.5 1.0
N A:TYR158 4.5 53.7 1.0
HG2 A:GLU161 4.7 53.8 0.5
HB2 A:GLU161 4.8 53.0 0.5
C A:TYR158 4.8 50.4 1.0
CD A:GLU161 4.8 46.1 0.5
CA A:ASP157 4.9 60.9 1.0
HB2 A:GLU161 4.9 53.0 0.5
HA3 A:GLY160 5.0 54.3 1.0
CB A:ASP157 5.0 64.3 1.0
N A:GLU161 5.0 44.5 0.5
N A:GLU161 5.0 44.5 0.5

Reference:

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
Page generated: Thu Jul 10 09:03:28 2025

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