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Magnesium 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:

Fluorine (F) 4 atoms
Sodium (Na) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium 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 Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Calcium Atpase with Bound Magnesium Fluoride and Cyclopiazonic Acid, PDB code: 2o9j:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 2o9j

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg 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:Mg995

b:36.8
occ:1.00
OD1 A:ASP703 1.8 49.0 1.0
O A:THR353 1.9 45.3 1.0
OD2 A:ASP351 2.0 44.5 1.0
F4 A:MF4996 2.0 35.7 1.0
O A:HOH2071 2.0 35.5 1.0
O A:HOH2061 2.2 38.6 1.0
CG A:ASP703 2.8 47.4 1.0
OD2 A:ASP703 3.1 47.9 1.0
C A:THR353 3.1 45.1 1.0
CG A:ASP351 3.1 44.5 1.0
OD1 A:ASP351 3.6 44.5 1.0
MG A:MF4996 3.8 34.0 1.0
CA A:THR353 4.0 44.8 1.0
OG1 A:THR355 4.0 45.5 1.0
OD2 A:ASP707 4.0 46.4 1.0
N A:THR353 4.1 44.8 1.0
N A:GLY354 4.1 45.2 1.0
CB A:THR353 4.2 44.6 1.0
CB A:ASP703 4.2 46.3 1.0
N A:GLY704 4.3 45.2 1.0
CA A:GLY354 4.3 45.5 1.0
CB A:ASP351 4.4 44.2 1.0
N A:ASP703 4.4 46.9 1.0
O A:GLY182 4.4 43.6 1.0
N A:THR355 4.6 46.1 1.0
CA A:ASP703 4.6 46.3 1.0
C A:ASP703 4.7 45.7 1.0
C A:GLY354 4.7 45.8 1.0
F3 A:MF4996 4.8 32.7 1.0
CG2 A:THR353 4.8 43.9 1.0
CA A:GLY182 4.8 42.6 1.0
CA A:GLY704 4.8 44.0 1.0
C A:LYS352 4.9 44.7 1.0
F1 A:MF4996 4.9 34.7 1.0

Magnesium binding site 2 out of 2 in 2o9j

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg 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:Mg996

b:34.0
occ:1.00
MG A:MF4996 0.0 34.0 1.0
F1 A:MF4996 2.0 34.7 1.0
F3 A:MF4996 2.0 32.7 1.0
F4 A:MF4996 2.0 35.7 1.0
F2 A:MF4996 2.0 35.4 1.0
OD1 A:ASP351 2.2 44.5 1.0
CG A:ASP351 3.2 44.5 1.0
OG1 A:THR625 3.4 40.9 1.0
O A:HOH2061 3.5 38.6 1.0
OD2 A:ASP351 3.5 44.5 1.0
N A:GLY626 3.8 40.5 1.0
N A:THR353 3.8 44.8 1.0
MG A:MG995 3.8 36.8 1.0
O A:THR181 3.8 41.5 1.0
CB A:THR353 4.0 44.6 1.0
N A:LYS352 4.2 44.3 1.0
CA A:THR625 4.2 40.7 1.0
OE1 A:GLU183 4.2 47.3 1.0
NZ A:LYS684 4.2 30.5 1.0
OG1 A:THR353 4.2 43.5 1.0
CA A:GLY182 4.3 42.6 1.0
CB A:THR625 4.3 40.5 1.0
ND2 A:ASN706 4.3 37.0 1.0
CA A:THR353 4.4 44.8 1.0
O A:THR353 4.4 45.3 1.0
O A:HOH2071 4.5 35.5 1.0
C A:THR625 4.5 40.8 1.0
O A:GLY182 4.6 43.6 1.0
C A:GLY182 4.6 43.2 1.0
CB A:ASP351 4.6 44.2 1.0
CA A:GLY626 4.7 40.6 1.0
C A:LYS352 4.7 44.7 1.0
C A:THR181 4.8 41.8 1.0
CA A:LYS352 4.8 44.5 1.0
N A:ASP627 4.9 41.1 1.0
O A:ILE624 4.9 40.9 1.0
C A:THR353 4.9 45.1 1.0
CB A:LYS352 4.9 44.0 1.0
N A:GLY182 5.0 42.4 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: Mon Dec 14 07:31:57 2020

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