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Magnesium in PDB 3fgo: Crystal Structure of the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp

Enzymatic activity of Crystal Structure of the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp

All present enzymatic activity of Crystal Structure of the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp:
3.6.3.8;

Protein crystallography data

The structure of Crystal Structure of the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp, PDB code: 3fgo was solved by M.Laursen, M.Bublitz, K.Moncoq, C.Olesen, J.V.Moller, H.S.Young, P.Nissen, J.P.Morth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.93 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 101.427, 108.872, 274.308, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 21.7

Other elements in 3fgo:

The structure of Crystal Structure of the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp also contains other interesting chemical elements:

Fluorine (F) 8 atoms
Potassium (K) 2 atoms
Manganese (Mn) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp (pdb code 3fgo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp, PDB code: 3fgo:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 3fgo

Go back to Magnesium Binding Sites List in 3fgo
Magnesium binding site 1 out of 4 in the Crystal Structure of the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp


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 the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1002

b:36.0
occ:1.00
 F4 A:MF41003 2.0 40.1 1.0
OD1 A:ASP703 2.1 49.2 1.0
OD2 A:ASP351 2.1 36.7 1.0
O A:HOH1074 2.2 34.9 1.0
O A:HOH1073 2.3 38.4 1.0
O A:THR353 2.4 33.7 1.0
CG A:ASP703 2.9 43.7 1.0
CG A:ASP351 3.1 41.4 1.0
OD2 A:ASP703 3.1 46.4 1.0
OD1 A:ASP351 3.5 37.2 1.0
C A:THR353 3.5 34.1 1.0
MG A:MF41003 3.7 33.6 1.0
OD2 A:ASP707 3.9 46.9 1.0
N A:GLY704 4.1 33.6 1.0
OG1 A:THR355 4.2 41.9 1.0
CA A:THR353 4.3 34.9 1.0
CA A:GLY182 4.3 21.8 1.0
CB A:THR353 4.3 28.5 1.0
CB A:ASP351 4.3 40.5 1.0
CB A:ASP703 4.3 34.1 1.0
O A:GLY182 4.4 33.8 1.0
N A:ASP703 4.5 33.8 1.0
N A:THR353 4.5 32.4 1.0
CA A:GLY704 4.5 31.1 1.0
N A:GLY354 4.6 36.0 1.0
C A:ASP703 4.6 37.6 1.0
OD1 A:ASN706 4.7 38.4 1.0
CG2 A:THR353 4.7 14.0 1.0
C A:GLY182 4.7 35.0 1.0
F3 A:MF41003 4.8 40.8 1.0
CA A:ASP703 4.8 33.1 1.0
CA A:GLY354 4.8 34.1 1.0
F1 A:MF41003 4.8 42.5 1.0
CG A:ASP707 4.9 39.5 1.0
F2 A:MF41003 5.0 47.5 1.0
N A:THR355 5.0 32.1 1.0

Magnesium binding site 2 out of 4 in 3fgo

Go back to Magnesium Binding Sites List in 3fgo
Magnesium binding site 2 out of 4 in the Crystal Structure of the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp


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 the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1003

b:33.6
occ:1.00
 MG A:MF41003 0.0 33.6 1.0
F1 A:MF41003 1.9 42.5 1.0
F4 A:MF41003 2.0 40.1 1.0
F3 A:MF41003 2.0 40.8 1.0
F2 A:MF41003 2.0 47.5 1.0
OD1 A:ASP351 2.2 37.2 1.0
CG A:ASP351 3.2 41.4 1.0
OD2 A:ASP351 3.5 36.7 1.0
O A:THR181 3.7 40.0 1.0
OG1 A:THR625 3.7 31.4 1.0
MG A:MG1002 3.7 36.0 1.0
N A:GLY626 3.7 35.1 1.0
O A:HOH1073 3.8 38.4 1.0
N A:THR353 3.8 32.4 1.0
CB A:THR353 3.9 28.5 1.0
NZ A:LYS684 4.0 28.6 1.0
CA A:GLY182 4.1 21.8 1.0
CA A:THR625 4.1 27.6 1.0
ND2 A:ASN706 4.2 31.5 1.0
OE1 A:GLU183 4.2 36.8 1.0
N A:LYS352 4.2 28.6 1.0
OG1 A:THR353 4.3 33.3 1.0
CB A:THR625 4.3 33.1 1.0
CA A:THR353 4.4 34.9 1.0
C A:THR625 4.5 30.1 1.0
CB A:ASP351 4.5 40.5 1.0
O A:THR353 4.6 33.7 1.0
CA A:GLY626 4.6 32.8 1.0
C A:THR181 4.6 28.6 1.0
C A:GLY182 4.6 35.0 1.0
O A:HOH1074 4.7 34.9 1.0
O A:ILE624 4.7 35.8 1.0
C A:LYS352 4.7 33.9 1.0
N A:GLY182 4.8 27.4 1.0
CA A:LYS352 4.9 30.6 1.0
CA A:ASP351 4.9 38.3 1.0
OD1 A:ASN706 4.9 38.4 1.0
N A:ASP627 5.0 31.0 1.0
C A:THR353 5.0 34.1 1.0
O A:GLY182 5.0 33.8 1.0

Magnesium binding site 3 out of 4 in 3fgo

Go back to Magnesium Binding Sites List in 3fgo
Magnesium binding site 3 out of 4 in the Crystal Structure of the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1002

b:36.7
occ:1.00
 F4 B:MF41003 1.9 33.7 1.0
OD2 B:ASP351 2.1 39.3 1.0
O B:HOH1107 2.2 39.3 1.0
OD1 B:ASP703 2.2 45.7 1.0
O B:HOH1106 2.2 46.6 1.0
O B:THR353 2.3 40.3 1.0
CG B:ASP351 3.1 36.8 1.0
CG B:ASP703 3.2 47.2 1.0
OD1 B:ASP351 3.3 28.1 1.0
OD2 B:ASP703 3.5 52.9 1.0
C B:THR353 3.5 36.0 1.0
MG B:MF41003 3.7 35.8 1.0
OD2 B:ASP707 3.9 43.5 1.0
O B:GLY182 4.2 39.9 1.0
N B:GLY704 4.2 38.6 1.0
CA B:THR353 4.2 38.8 1.0
CB B:THR353 4.2 35.5 1.0
CA B:GLY182 4.2 29.4 1.0
OG1 B:THR355 4.3 38.4 1.0
CB B:ASP351 4.4 35.6 1.0
N B:THR353 4.4 36.5 1.0
N B:GLY354 4.5 32.9 1.0
CB B:ASP703 4.5 46.3 1.0
CA B:GLY704 4.5 39.1 1.0
N B:ASP703 4.6 46.2 1.0
OD1 B:ASN706 4.6 40.8 1.0
F3 B:MF41003 4.6 33.2 1.0
C B:GLY182 4.7 35.9 1.0
CA B:GLY354 4.7 33.5 1.0
CG2 B:THR353 4.8 35.2 1.0
C B:ASP703 4.8 46.1 1.0
F1 B:MF41003 4.9 36.6 1.0
CG B:ASP707 4.9 43.7 1.0
CA B:ASP703 4.9 45.4 1.0
N B:THR355 4.9 38.2 1.0
F2 B:MF41003 5.0 52.4 1.0

Magnesium binding site 4 out of 4 in 3fgo

Go back to Magnesium Binding Sites List in 3fgo
Magnesium binding site 4 out of 4 in the Crystal Structure of the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the E2 Magnesium Fluoride Complex of the (Sr) CA2+-Atpase with Bound Cpa and Amppcp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1003

b:35.8
occ:1.00
 MG B:MF41003 0.0 35.8 1.0
F3 B:MF41003 1.9 33.2 1.0
F1 B:MF41003 2.0 36.6 1.0
F4 B:MF41003 2.0 33.7 1.0
F2 B:MF41003 2.0 52.4 1.0
OD1 B:ASP351 2.2 28.1 1.0
CG B:ASP351 3.3 36.8 1.0
OG1 B:THR625 3.4 36.4 1.0
N B:GLY626 3.6 27.5 1.0
O B:THR181 3.7 37.8 1.0
OD2 B:ASP351 3.7 39.3 1.0
MG B:MG1002 3.7 36.7 1.0
N B:THR353 3.9 36.5 1.0
CA B:THR625 4.0 31.3 1.0
O B:HOH1106 4.0 46.6 1.0
CB B:THR353 4.0 35.5 1.0
NZ B:LYS684 4.1 33.5 1.0
CB B:THR625 4.1 31.6 1.0
OE1 B:GLU183 4.1 44.7 1.0
CA B:GLY182 4.1 29.4 1.0
ND2 B:ASN706 4.2 30.7 1.0
N B:LYS352 4.2 34.4 1.0
OG1 B:THR353 4.3 34.9 1.0
C B:THR625 4.3 30.3 1.0
O B:THR353 4.5 40.3 1.0
CA B:THR353 4.5 38.8 1.0
CA B:GLY626 4.5 32.6 1.0
CB B:ASP351 4.6 35.6 1.0
C B:THR181 4.6 32.8 1.0
C B:GLY182 4.6 35.9 1.0
C B:LYS352 4.7 37.7 1.0
O B:ILE624 4.8 44.2 1.0
N B:GLY182 4.8 34.0 1.0
N B:ASP627 4.8 35.8 1.0
CA B:LYS352 4.8 35.7 1.0
CA B:ASP351 4.9 33.9 1.0
O B:GLY182 4.9 39.9 1.0
O B:HOH1107 5.0 39.3 1.0
CB B:LYS352 5.0 35.3 1.0
C B:THR353 5.0 36.0 1.0
C B:ASP351 5.0 38.1 1.0
OD1 B:ASN706 5.0 40.8 1.0

Reference:

M.Laursen, M.Bublitz, K.Moncoq, C.Olesen, J.V.Moeller, H.S.Young, P.Nissen, J.P.Morth. Cyclopiazonic Acid Is Complexed to A Divalent Metal Ion When Bound to the Sarcoplasmic Reticulum CA2+-Atpase. J.Biol.Chem. 2009.
ISSN: ESSN 1083-351X
PubMed: 19289472
DOI: 10.1074/JBC.C900031200
Page generated: Mon Dec 14 08:08:38 2020

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