Atomistry » Fluorine » PDB 3ewh-3flq » 3fgo
Atomistry »
  Fluorine »
    PDB 3ewh-3flq »
      3fgo »

Fluorine 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:

Magnesium (Mg) 4 atoms
Potassium (K) 2 atoms
Manganese (Mn) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 8 binding sites of Fluorine 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 Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 3fgo

Go back to Fluorine Binding Sites List in 3fgo
Fluorine binding site 1 out of 8 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 Fluorine with other atoms in the F 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:F1003

b:42.5
occ:1.00
 F1 A:MF41003 0.0 42.5 1.0
MG A:MF41003 1.9 33.6 1.0
ND2 A:ASN706 2.7 31.5 1.0
NZ A:LYS684 2.7 28.6 1.0
OD1 A:ASP351 2.8 37.2 1.0
N A:GLY626 2.8 35.1 1.0
F2 A:MF41003 2.9 47.5 1.0
O A:THR181 3.3 40.0 1.0
F3 A:MF41003 3.4 40.8 1.0
CE A:LYS684 3.4 33.1 1.0
F4 A:MF41003 3.5 40.1 1.0
CA A:GLY626 3.6 32.8 1.0
C A:THR625 3.6 30.1 1.0
CA A:THR625 3.6 27.6 1.0
CG A:ASN706 3.8 35.7 1.0
CG A:ASP351 4.0 41.4 1.0
O A:HOH1073 4.0 38.4 1.0
C A:THR181 4.1 28.6 1.0
O A:ILE624 4.1 35.8 1.0
OD1 A:ASN706 4.1 38.4 1.0
OG1 A:THR625 4.2 31.4 1.0
O A:HOH1011 4.3 33.5 1.0
CA A:GLY182 4.3 21.8 1.0
OD1 A:ASP707 4.4 40.9 1.0
CB A:THR625 4.5 33.1 1.0
N A:GLY182 4.5 27.4 1.0
OD2 A:ASP351 4.6 36.7 1.0
N A:THR625 4.7 32.0 1.0
O A:THR625 4.8 33.4 1.0
C A:GLY626 4.8 34.9 1.0
C A:ILE624 4.8 32.0 1.0
MG A:MG1002 4.8 36.0 1.0
CD A:LYS684 4.8 33.9 1.0
N A:ASP627 4.9 31.0 1.0
CB A:ASP351 5.0 40.5 1.0

Fluorine binding site 2 out of 8 in 3fgo

Go back to Fluorine Binding Sites List in 3fgo
Fluorine binding site 2 out of 8 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 Fluorine with other atoms in the F 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:F1003

b:47.5
occ:1.00
 F2 A:MF41003 0.0 47.5 1.0
MG A:MF41003 2.0 33.6 1.0
OE1 A:GLU183 2.6 36.8 1.0
O A:THR181 2.6 40.0 1.0
F1 A:MF41003 2.9 42.5 1.0
F4 A:MF41003 3.0 40.1 1.0
F3 A:MF41003 3.0 40.8 1.0
N A:GLY626 3.4 35.1 1.0
OG1 A:THR625 3.4 31.4 1.0
CD A:GLU183 3.4 34.5 1.0
N A:ASP627 3.6 31.0 1.0
CG A:GLU183 3.7 25.6 1.0
OG1 A:THR353 3.7 33.3 1.0
C A:THR181 3.7 28.6 1.0
CA A:GLY182 3.7 21.8 1.0
CA A:GLY626 3.8 32.8 1.0
C A:GLY182 3.8 35.0 1.0
CB A:THR353 3.8 28.5 1.0
N A:GLU183 3.9 32.3 1.0
C A:GLY626 4.0 34.9 1.0
CB A:ASP627 4.2 39.0 1.0
N A:GLY182 4.2 27.4 1.0
OD1 A:ASP351 4.2 37.2 1.0
O A:GLY182 4.4 33.8 1.0
CA A:ASP627 4.4 35.0 1.0
C A:THR625 4.4 30.1 1.0
CB A:THR625 4.5 33.1 1.0
OE2 A:GLU183 4.5 46.0 1.0
CA A:GLU183 4.6 32.6 1.0
N A:THR353 4.6 32.4 1.0
CA A:THR625 4.6 27.6 1.0
CG2 A:THR353 4.7 14.0 1.0
CB A:GLU183 4.7 28.2 1.0
ND2 A:ASN706 4.8 31.5 1.0
CA A:THR353 4.9 34.9 1.0
O A:GLY626 4.9 42.3 1.0
MG A:MG1002 5.0 36.0 1.0
CA A:THR181 5.0 30.6 1.0

Fluorine binding site 3 out of 8 in 3fgo

Go back to Fluorine Binding Sites List in 3fgo
Fluorine binding site 3 out of 8 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 Fluorine with other atoms in the F 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
A:F1003

b:40.8
occ:1.00
 F3 A:MF41003 0.0 40.8 1.0
MG A:MF41003 2.0 33.6 1.0
OG1 A:THR625 2.6 31.4 1.0
OD1 A:ASP351 2.7 37.2 1.0
N A:THR353 2.7 32.4 1.0
N A:LYS352 2.8 28.6 1.0
F2 A:MF41003 3.0 47.5 1.0
CB A:THR625 3.1 33.1 1.0
CB A:LYS352 3.1 30.8 1.0
CA A:LYS352 3.2 30.6 1.0
F4 A:MF41003 3.3 40.1 1.0
F1 A:MF41003 3.4 42.5 1.0
C A:LYS352 3.4 33.9 1.0
CG A:ASP351 3.4 41.4 1.0
CA A:THR625 3.5 27.6 1.0
OG1 A:THR353 3.7 33.3 1.0
CB A:THR353 3.8 28.5 1.0
CA A:THR353 3.8 34.9 1.0
OD2 A:ASP351 3.9 36.7 1.0
C A:ASP351 3.9 39.9 1.0
N A:GLY626 4.1 35.1 1.0
CG A:LYS352 4.1 32.1 1.0
O A:ILE624 4.2 35.8 1.0
CA A:ASP351 4.3 38.3 1.0
C A:THR625 4.3 30.1 1.0
OE1 A:GLU183 4.4 36.8 1.0
CB A:ASP351 4.5 40.5 1.0
CG2 A:THR625 4.5 28.6 1.0
CE A:LYS352 4.5 39.2 1.0
O A:LYS352 4.5 40.0 1.0
N A:THR625 4.6 32.0 1.0
NZ A:LYS684 4.7 28.6 1.0
C A:ILE624 4.7 32.0 1.0
MG A:MG1002 4.8 36.0 1.0
O A:THR353 4.8 33.7 1.0
CD A:LYS352 4.8 38.2 1.0
C A:THR353 4.8 34.1 1.0
NZ A:LYS352 4.8 38.2 1.0
O A:ASP351 4.9 41.4 1.0
N A:ASP627 4.9 31.0 1.0

Fluorine binding site 4 out of 8 in 3fgo

Go back to Fluorine Binding Sites List in 3fgo
Fluorine binding site 4 out of 8 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 Fluorine with other atoms in the F 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
A:F1003

b:40.1
occ:1.00
 F4 A:MF41003 0.0 40.1 1.0
MG A:MG1002 2.0 36.0 1.0
MG A:MF41003 2.0 33.6 1.0
O A:HOH1074 2.8 34.9 1.0
OD2 A:ASP351 2.8 36.7 1.0
OD1 A:ASP351 2.9 37.2 1.0
O A:HOH1073 2.9 38.4 1.0
O A:THR353 3.0 33.7 1.0
F2 A:MF41003 3.0 47.5 1.0
CB A:THR353 3.2 28.5 1.0
CG A:ASP351 3.2 41.4 1.0
F3 A:MF41003 3.3 40.8 1.0
CA A:GLY182 3.4 21.8 1.0
F1 A:MF41003 3.5 42.5 1.0
CA A:THR353 3.6 34.9 1.0
N A:THR353 3.7 32.4 1.0
C A:THR353 3.7 34.1 1.0
O A:GLY182 3.7 33.8 1.0
C A:GLY182 3.8 35.0 1.0
CG2 A:THR353 3.9 14.0 1.0
OD1 A:ASP703 4.0 49.2 1.0
OG1 A:THR353 4.1 33.3 1.0
O A:THR181 4.4 40.0 1.0
OE1 A:GLU183 4.5 36.8 1.0
N A:GLY182 4.6 27.4 1.0
C A:LYS352 4.6 33.9 1.0
OD1 A:ASN706 4.7 38.4 1.0
CB A:ASP351 4.7 40.5 1.0
N A:GLU183 4.7 32.3 1.0
ND2 A:ASN706 4.8 31.5 1.0
OD2 A:ASP703 4.9 46.4 1.0
CG A:ASP703 4.9 43.7 1.0
N A:LYS352 4.9 28.6 1.0
C A:THR181 4.9 28.6 1.0
N A:GLY354 5.0 36.0 1.0
OD2 A:ASP707 5.0 46.9 1.0

Fluorine binding site 5 out of 8 in 3fgo

Go back to Fluorine Binding Sites List in 3fgo
Fluorine binding site 5 out of 8 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 Fluorine with other atoms in the F binding site number 5 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:F1003

b:36.6
occ:1.00
 F1 B:MF41003 0.0 36.6 1.0
MG B:MF41003 2.0 35.8 1.0
NZ B:LYS684 2.6 33.5 1.0
N B:GLY626 2.7 27.5 1.0
OD1 B:ASP351 2.7 28.1 1.0
ND2 B:ASN706 2.8 30.7 1.0
F2 B:MF41003 3.0 52.4 1.0
CE B:LYS684 3.3 31.2 1.0
F3 B:MF41003 3.3 33.2 1.0
CA B:THR625 3.4 31.3 1.0
O B:THR181 3.5 37.8 1.0
F4 B:MF41003 3.5 33.7 1.0
C B:THR625 3.5 30.3 1.0
CA B:GLY626 3.7 32.6 1.0
CG B:ASP351 3.9 36.8 1.0
O B:ILE624 4.0 44.2 1.0
CG B:ASN706 4.0 38.7 1.0
OG1 B:THR625 4.0 36.4 1.0
O B:HOH1106 4.2 46.6 1.0
C B:THR181 4.2 32.8 1.0
CB B:THR625 4.2 31.6 1.0
OD1 B:ASP707 4.3 42.7 1.0
OD1 B:ASN706 4.3 40.8 1.0
O B:HOH1070 4.4 34.0 1.0
N B:THR625 4.4 34.2 1.0
CA B:GLY182 4.5 29.4 1.0
C B:ILE624 4.6 39.6 1.0
O B:THR625 4.6 32.7 1.0
OD2 B:ASP351 4.6 39.3 1.0
N B:GLY182 4.7 34.0 1.0
CD B:LYS684 4.7 37.6 1.0
CB B:ASP351 4.8 35.6 1.0
MG B:MG1002 4.9 36.7 1.0
C B:GLY626 4.9 37.1 1.0
N B:ASP627 4.9 35.8 1.0

Fluorine binding site 6 out of 8 in 3fgo

Go back to Fluorine Binding Sites List in 3fgo
Fluorine binding site 6 out of 8 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 Fluorine with other atoms in the F binding site number 6 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:F1003

b:52.4
occ:1.00
 F2 B:MF41003 0.0 52.4 1.0
MG B:MF41003 2.0 35.8 1.0
OE1 B:GLU183 2.5 44.7 1.0
O B:THR181 2.6 37.8 1.0
F1 B:MF41003 3.0 36.6 1.0
F3 B:MF41003 3.0 33.2 1.0
F4 B:MF41003 3.0 33.7 1.0
OG1 B:THR625 3.2 36.4 1.0
N B:GLY626 3.3 27.5 1.0
N B:ASP627 3.4 35.8 1.0
CD B:GLU183 3.4 42.0 1.0
CA B:GLY626 3.6 32.6 1.0
CG B:GLU183 3.6 32.8 1.0
C B:THR181 3.7 32.8 1.0
OG1 B:THR353 3.8 34.9 1.0
CA B:GLY182 3.8 29.4 1.0
C B:GLY626 3.8 37.1 1.0
C B:GLY182 3.9 35.9 1.0
CB B:THR353 4.0 35.5 1.0
N B:GLU183 4.1 33.1 1.0
OD1 B:ASP351 4.2 28.1 1.0
CB B:ASP627 4.2 30.5 1.0
N B:GLY182 4.2 34.0 1.0
C B:THR625 4.3 30.3 1.0
CA B:ASP627 4.3 32.8 1.0
O B:GLY182 4.3 39.9 1.0
CB B:THR625 4.4 31.6 1.0
CA B:THR625 4.5 31.3 1.0
OE2 B:GLU183 4.5 46.8 1.0
N B:THR353 4.7 36.5 1.0
ND2 B:ASN706 4.7 30.7 1.0
CB B:GLU183 4.7 25.9 1.0
CA B:GLU183 4.7 32.8 1.0
O B:GLY626 4.9 35.3 1.0
CA B:THR353 5.0 38.8 1.0
MG B:MG1002 5.0 36.7 1.0
CA B:THR181 5.0 31.4 1.0

Fluorine binding site 7 out of 8 in 3fgo

Go back to Fluorine Binding Sites List in 3fgo
Fluorine binding site 7 out of 8 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 Fluorine with other atoms in the F binding site number 7 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:F1003

b:33.2
occ:1.00
 F3 B:MF41003 0.0 33.2 1.0
MG B:MF41003 1.9 35.8 1.0
OG1 B:THR625 2.5 36.4 1.0
OD1 B:ASP351 2.5 28.1 1.0
N B:LYS352 2.7 34.4 1.0
N B:THR353 2.7 36.5 1.0
CB B:THR625 3.0 31.6 1.0
CB B:LYS352 3.0 35.3 1.0
F2 B:MF41003 3.0 52.4 1.0
CA B:LYS352 3.1 35.7 1.0
F4 B:MF41003 3.2 33.7 1.0
C B:LYS352 3.3 37.7 1.0
F1 B:MF41003 3.3 36.6 1.0
CG B:ASP351 3.4 36.8 1.0
CA B:THR625 3.5 31.3 1.0
C B:ASP351 3.8 38.1 1.0
OG1 B:THR353 3.8 34.9 1.0
CA B:THR353 3.8 38.8 1.0
CB B:THR353 3.8 35.5 1.0
OD2 B:ASP351 4.0 39.3 1.0
CG B:LYS352 4.1 33.5 1.0
CA B:ASP351 4.1 33.9 1.0
N B:GLY626 4.2 27.5 1.0
O B:ILE624 4.3 44.2 1.0
OE1 B:GLU183 4.3 44.7 1.0
CB B:ASP351 4.4 35.6 1.0
C B:THR625 4.4 30.3 1.0
CG2 B:THR625 4.4 20.6 1.0
O B:LYS352 4.4 37.4 1.0
CE B:LYS352 4.5 35.2 1.0
O B:THR353 4.6 40.3 1.0
N B:THR625 4.6 34.2 1.0
MG B:MG1002 4.6 36.7 1.0
C B:THR353 4.7 36.0 1.0
O B:ASP351 4.8 39.5 1.0
NZ B:LYS684 4.8 33.5 1.0
C B:ILE624 4.8 39.6 1.0
CD B:LYS352 4.9 35.0 1.0
N B:ASP627 5.0 35.8 1.0
NZ B:LYS352 5.0 33.9 1.0

Fluorine binding site 8 out of 8 in 3fgo

Go back to Fluorine Binding Sites List in 3fgo
Fluorine binding site 8 out of 8 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 Fluorine with other atoms in the F binding site number 8 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:F1003

b:33.7
occ:1.00
 F4 B:MF41003 0.0 33.7 1.0
MG B:MG1002 1.9 36.7 1.0
MG B:MF41003 2.0 35.8 1.0
OD1 B:ASP351 2.7 28.1 1.0
OD2 B:ASP351 2.9 39.3 1.0
O B:THR353 2.9 40.3 1.0
O B:HOH1107 3.0 39.3 1.0
O B:HOH1106 3.0 46.6 1.0
F2 B:MF41003 3.0 52.4 1.0
CG B:ASP351 3.1 36.8 1.0
F3 B:MF41003 3.2 33.2 1.0
CB B:THR353 3.3 35.5 1.0
CA B:GLY182 3.4 29.4 1.0
F1 B:MF41003 3.5 36.6 1.0
O B:GLY182 3.6 39.9 1.0
N B:THR353 3.7 36.5 1.0
C B:THR353 3.7 36.0 1.0
CA B:THR353 3.7 38.8 1.0
C B:GLY182 3.8 35.9 1.0
OD1 B:ASP703 4.1 45.7 1.0
OG1 B:THR353 4.1 34.9 1.0
CG2 B:THR353 4.2 35.2 1.0
O B:THR181 4.4 37.8 1.0
OE1 B:GLU183 4.4 44.7 1.0
C B:LYS352 4.6 37.7 1.0
N B:GLY182 4.6 34.0 1.0
OD1 B:ASN706 4.6 40.8 1.0
CB B:ASP351 4.7 35.6 1.0
ND2 B:ASN706 4.7 30.7 1.0
N B:GLU183 4.8 33.1 1.0
N B:LYS352 4.9 34.4 1.0
C B:THR181 4.9 32.8 1.0
N B:GLY354 5.0 32.9 1.0
OD2 B:ASP707 5.0 43.5 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: Wed Jul 31 18:31:39 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy