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Fluorine in PDB 2o9j: Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid

Enzymatic activity of Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid

All present enzymatic activity of Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid:
3.6.3.8;

Protein crystallography data

The structure of Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid, PDB code: 2o9j was solved by H.S.Young, K.A.Moncoq, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.10 / 2.65
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 175.383, 69.875, 143.411, 90.00, 107.10, 90.00
R / Rfree (%) 24.6 / 28.7

Other elements in 2o9j:

The structure of Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid (pdb code 2o9j). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid, PDB code: 2o9j:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 2o9j

Go back to Fluorine Binding Sites List in 2o9j
Fluorine binding site 1 out of 4 in the Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F996

b:34.7
occ:1.00
 F1 A:MF4996 0.0 34.7 1.0
MG A:MF4996 2.0 34.0 1.0
OD1 A:ASP351 2.6 44.5 1.0
NZ A:LYS684 2.7 30.5 1.0
ND2 A:ASN706 2.9 37.0 1.0
N A:GLY626 2.9 40.5 1.0
F2 A:MF4996 3.1 35.4 1.0
F3 A:MF4996 3.4 32.7 1.0
F4 A:MF4996 3.4 35.7 1.0
O A:THR181 3.5 41.5 1.0
CE A:LYS684 3.5 32.4 1.0
CA A:THR625 3.7 40.7 1.0
O A:HOH2061 3.7 38.6 1.0
C A:THR625 3.7 40.8 1.0
CG A:ASP351 3.7 44.5 1.0
CA A:GLY626 3.8 40.6 1.0
CG A:ASN706 3.9 40.7 1.0
OG1 A:THR625 4.0 40.9 1.0
O A:ILE624 4.1 40.9 1.0
OD1 A:ASN706 4.2 41.4 1.0
OD1 A:ASP707 4.2 46.0 1.0
C A:THR181 4.3 41.8 1.0
OD2 A:ASP351 4.3 44.5 1.0
CB A:THR625 4.5 40.5 1.0
CA A:GLY182 4.5 42.6 1.0
O A:HOH2060 4.5 35.5 1.0
N A:THR625 4.7 40.9 1.0
N A:GLY182 4.7 42.4 1.0
CB A:ASP351 4.8 44.2 1.0
C A:ILE624 4.8 41.0 1.0
O A:THR625 4.9 40.9 1.0
CD A:LYS684 4.9 36.3 1.0
C A:GLY626 4.9 40.6 1.0
MG A:MG995 4.9 36.8 1.0
N A:ASP627 5.0 41.1 1.0

Fluorine binding site 2 out of 4 in 2o9j

Go back to Fluorine Binding Sites List in 2o9j
Fluorine binding site 2 out of 4 in the Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F996

b:35.4
occ:1.00
 F2 A:MF4996 0.0 35.4 1.0
MG A:MF4996 2.0 34.0 1.0
OE1 A:GLU183 2.6 47.3 1.0
O A:THR181 2.7 41.5 1.0
F3 A:MF4996 3.0 32.7 1.0
F1 A:MF4996 3.1 34.7 1.0
F4 A:MF4996 3.1 35.7 1.0
OG1 A:THR625 3.3 40.9 1.0
CD A:GLU183 3.4 46.7 1.0
N A:GLY626 3.5 40.5 1.0
CG A:GLU183 3.5 44.8 1.0
N A:ASP627 3.6 41.1 1.0
OG1 A:THR353 3.7 43.5 1.0
C A:GLY182 3.7 43.2 1.0
CA A:GLY182 3.8 42.6 1.0
C A:THR181 3.8 41.8 1.0
CA A:GLY626 3.9 40.6 1.0
O A:GLY182 3.9 43.6 1.0
CB A:THR353 3.9 44.6 1.0
C A:GLY626 4.0 40.6 1.0
N A:GLU183 4.1 43.7 1.0
CB A:ASP627 4.1 41.6 1.0
OD1 A:ASP351 4.2 44.5 1.0
N A:GLY182 4.3 42.4 1.0
CA A:ASP627 4.3 41.5 1.0
C A:THR625 4.5 40.8 1.0
OE2 A:GLU183 4.5 46.8 1.0
CB A:THR625 4.6 40.5 1.0
N A:THR353 4.6 44.8 1.0
CB A:GLU183 4.7 43.9 1.0
CA A:THR625 4.7 40.7 1.0
CA A:GLU183 4.7 44.3 1.0
ND2 A:ASN706 4.8 37.0 1.0
O A:HOH2061 4.9 38.6 1.0
CA A:THR353 4.9 44.8 1.0
CG2 A:THR353 4.9 43.9 1.0

Fluorine binding site 3 out of 4 in 2o9j

Go back to Fluorine Binding Sites List in 2o9j
Fluorine binding site 3 out of 4 in the Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F996

b:32.7
occ:1.00
 F3 A:MF4996 0.0 32.7 1.0
MG A:MF4996 2.0 34.0 1.0
OG1 A:THR625 2.3 40.9 1.0
OD1 A:ASP351 2.6 44.5 1.0
N A:THR353 2.7 44.8 1.0
N A:LYS352 2.8 44.3 1.0
CB A:LYS352 3.0 44.0 1.0
F2 A:MF4996 3.0 35.4 1.0
CB A:THR625 3.1 40.5 1.0
CA A:LYS352 3.1 44.5 1.0
F4 A:MF4996 3.3 35.7 1.0
F1 A:MF4996 3.4 34.7 1.0
C A:LYS352 3.4 44.7 1.0
CG A:ASP351 3.5 44.5 1.0
CA A:THR625 3.6 40.7 1.0
OG1 A:THR353 3.7 43.5 1.0
CA A:THR353 3.8 44.8 1.0
CB A:THR353 3.8 44.6 1.0
CG A:LYS352 3.9 43.9 1.0
C A:ASP351 3.9 44.3 1.0
OD2 A:ASP351 4.0 44.5 1.0
N A:GLY626 4.2 40.5 1.0
OE1 A:GLU183 4.3 47.3 1.0
CA A:ASP351 4.4 44.4 1.0
CD A:LYS352 4.4 44.0 1.0
C A:THR625 4.4 40.8 1.0
O A:ILE624 4.4 40.9 1.0
CG2 A:THR625 4.5 40.0 1.0
NZ A:LYS352 4.5 41.0 1.0
CB A:ASP351 4.6 44.2 1.0
O A:LYS352 4.6 44.6 1.0
O A:THR353 4.7 45.3 1.0
N A:THR625 4.7 40.9 1.0
MG A:MG995 4.8 36.8 1.0
C A:THR353 4.8 45.1 1.0
NZ A:LYS684 4.9 30.5 1.0
N A:ASP627 4.9 41.1 1.0
C A:ILE624 5.0 41.0 1.0
O A:ASP351 5.0 44.2 1.0

Fluorine binding site 4 out of 4 in 2o9j

Go back to Fluorine Binding Sites List in 2o9j
Fluorine binding site 4 out of 4 in the Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F996

b:35.7
occ:1.00
 F4 A:MF4996 0.0 35.7 1.0
MG A:MF4996 2.0 34.0 1.0
MG A:MG995 2.0 36.8 1.0
O A:HOH2061 2.4 38.6 1.0
O A:HOH2071 2.5 35.5 1.0
OD2 A:ASP351 2.7 44.5 1.0
O A:THR353 2.8 45.3 1.0
OD1 A:ASP351 2.9 44.5 1.0
F2 A:MF4996 3.1 35.4 1.0
CG A:ASP351 3.2 44.5 1.0
F3 A:MF4996 3.3 32.7 1.0
CB A:THR353 3.3 44.6 1.0
F1 A:MF4996 3.4 34.7 1.0
O A:GLY182 3.5 43.6 1.0
CA A:GLY182 3.6 42.6 1.0
N A:THR353 3.6 44.8 1.0
C A:THR353 3.6 45.1 1.0
CA A:THR353 3.7 44.8 1.0
OD1 A:ASP703 3.8 49.0 1.0
C A:GLY182 3.8 43.2 1.0
OG1 A:THR353 4.2 43.5 1.0
CG2 A:THR353 4.3 43.9 1.0
O A:THR181 4.5 41.5 1.0
OE1 A:GLU183 4.7 47.3 1.0
C A:LYS352 4.7 44.7 1.0
CB A:ASP351 4.7 44.2 1.0
OD1 A:ASN706 4.8 41.4 1.0
CG A:ASP703 4.8 47.4 1.0
OD2 A:ASP707 4.8 46.4 1.0
N A:LYS352 4.8 44.3 1.0
N A:GLY182 4.8 42.4 1.0
ND2 A:ASN706 4.8 37.0 1.0
OD2 A:ASP703 4.9 47.9 1.0
N A:GLY354 4.9 45.2 1.0
N A:GLU183 5.0 43.7 1.0

Reference:

K.Moncoq, C.A.Trieber, H.S.Young. The Molecular Basis For Cyclopiazonic Acid Inhibition of the Sarcoplasmic Reticulum Calcium Pump. J.Biol.Chem. V. 282 9748 2007.
ISSN: ISSN 0021-9258
PubMed: 17259168
DOI: 10.1074/JBC.M611653200
Page generated: Wed Jul 31 15:17:22 2024

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