Atomistry » Fluorine » PDB 3n2m-3nly » 3n5k
Atomistry »
  Fluorine »
    PDB 3n2m-3nly »
      3n5k »

Fluorine in PDB 3n5k: Structure of the (Sr)CA2+-Atpase E2-ALF4- Form

Enzymatic activity of Structure of the (Sr)CA2+-Atpase E2-ALF4- Form

All present enzymatic activity of Structure of the (Sr)CA2+-Atpase E2-ALF4- Form:
3.6.3.8;

Protein crystallography data

The structure of Structure of the (Sr)CA2+-Atpase E2-ALF4- Form, PDB code: 3n5k was solved by M.Bublitz, C.Olesen, H.Poulsen, J.P.Morth, J.V.Moller, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 101.930, 109.420, 276.092, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 21.6

Other elements in 3n5k:

The structure of Structure of the (Sr)CA2+-Atpase E2-ALF4- Form also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Aluminium (Al) 2 atoms
Potassium (K) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of the (Sr)CA2+-Atpase E2-ALF4- Form (pdb code 3n5k). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Structure of the (Sr)CA2+-Atpase E2-ALF4- Form, PDB code: 3n5k:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 3n5k

Go back to Fluorine Binding Sites List in 3n5k
Fluorine binding site 1 out of 8 in the Structure of the (Sr)CA2+-Atpase E2-ALF4- Form


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the (Sr)CA2+-Atpase E2-ALF4- Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2002

b:27.4
occ:1.00
 F1 A:ALF2002 0.0 27.4 1.0
AL A:ALF2002 1.8 24.9 1.0
F4 A:ALF2002 2.5 25.1 1.0
O A:HOH1279 2.5 23.0 1.0
F3 A:ALF2002 2.5 23.1 1.0
OD1 A:ASP351 2.7 23.8 1.0
O A:HOH1365 2.7 23.3 1.0
ND2 A:ASN706 2.7 20.9 1.0
CA A:GLY182 3.1 23.2 1.0
OD1 A:ASN706 3.3 24.9 1.0
O A:THR181 3.4 22.4 1.0
CG A:ASN706 3.4 25.1 1.0
MG A:MG2001 3.5 26.7 1.0
NZ A:LYS684 3.5 22.9 1.0
F2 A:ALF2002 3.6 23.4 1.0
CG A:ASP351 3.6 24.2 1.0
N A:GLY182 3.6 21.9 1.0
C A:THR181 3.8 23.8 1.0
OD2 A:ASP351 4.1 23.9 1.0
C A:GLY182 4.1 27.3 1.0
OD1 A:ASP707 4.2 26.2 1.0
OD2 A:ASP707 4.2 25.4 1.0
O A:HOH1366 4.4 21.1 1.0
N A:GLY626 4.5 24.8 1.0
O A:GLY182 4.5 25.8 1.0
CG A:ASP707 4.5 25.2 1.0
CE A:LYS684 4.6 26.1 1.0
CB A:ASP351 4.7 21.3 1.0
CB A:ASN706 4.9 21.8 1.0

Fluorine binding site 2 out of 8 in 3n5k

Go back to Fluorine Binding Sites List in 3n5k
Fluorine binding site 2 out of 8 in the Structure of the (Sr)CA2+-Atpase E2-ALF4- Form


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the (Sr)CA2+-Atpase E2-ALF4- Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2002

b:23.4
occ:1.00
 F2 A:ALF2002 0.0 23.4 1.0
AL A:ALF2002 1.8 24.9 1.0
F3 A:ALF2002 2.5 23.1 1.0
F4 A:ALF2002 2.6 25.1 1.0
OG1 A:THR625 2.6 19.3 1.0
OD1 A:ASP351 2.6 23.8 1.0
O A:HOH1365 2.6 23.3 1.0
N A:THR353 2.8 21.7 1.0
N A:LYS352 3.0 22.6 1.0
CB A:LYS352 3.4 17.9 1.0
CB A:THR625 3.4 22.2 1.0
CA A:LYS352 3.5 22.3 1.0
CG A:ASP351 3.5 24.2 1.0
F1 A:ALF2002 3.6 27.4 1.0
C A:LYS352 3.6 23.4 1.0
OG1 A:THR353 3.6 21.5 1.0
CB A:THR353 3.7 19.1 1.0
OE2 A:GLU183 3.7 22.2 1.0
CA A:THR625 3.8 25.9 1.0
CA A:THR353 3.8 21.3 1.0
OD2 A:ASP351 4.0 23.9 1.0
N A:GLY626 4.0 24.8 1.0
C A:ASP351 4.1 24.0 1.0
MG A:MG2001 4.3 26.7 1.0
CG A:LYS352 4.4 21.9 1.0
C A:THR625 4.4 25.7 1.0
CA A:ASP351 4.5 21.4 1.0
CB A:ASP351 4.6 21.3 1.0
O A:ILE624 4.6 24.8 1.0
O A:THR353 4.7 23.7 1.0
CE A:LYS352 4.7 27.4 1.0
C A:THR353 4.8 26.5 1.0
NZ A:LYS684 4.8 22.9 1.0
O A:LYS352 4.8 24.1 1.0
N A:ASP627 4.8 24.2 1.0
CG2 A:THR625 4.8 20.8 1.0
NZ A:LYS352 4.8 25.0 1.0
CD A:GLU183 5.0 26.0 1.0
O A:THR181 5.0 22.4 1.0
N A:THR625 5.0 23.9 1.0

Fluorine binding site 3 out of 8 in 3n5k

Go back to Fluorine Binding Sites List in 3n5k
Fluorine binding site 3 out of 8 in the Structure of the (Sr)CA2+-Atpase E2-ALF4- Form


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the (Sr)CA2+-Atpase E2-ALF4- Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2002

b:23.1
occ:1.00
 F3 A:ALF2002 0.0 23.1 1.0
AL A:ALF2002 1.8 24.9 1.0
MG A:MG2001 2.0 26.7 1.0
F2 A:ALF2002 2.5 23.4 1.0
OD1 A:ASP351 2.5 23.8 1.0
F1 A:ALF2002 2.5 27.4 1.0
O A:HOH1365 2.7 23.3 1.0
OD2 A:ASP351 2.9 23.9 1.0
O A:HOH1279 3.0 23.0 1.0
CG A:ASP351 3.0 24.2 1.0
O A:THR353 3.1 23.7 1.0
O A:HOH1366 3.1 21.1 1.0
CB A:THR353 3.1 19.1 1.0
N A:THR353 3.2 21.7 1.0
CA A:THR353 3.4 21.3 1.0
F4 A:ALF2002 3.5 25.1 1.0
C A:THR353 3.7 26.5 1.0
O A:GLY182 3.7 25.8 1.0
CA A:GLY182 3.9 23.2 1.0
OG1 A:THR353 3.9 21.5 1.0
C A:GLY182 4.1 27.3 1.0
OE2 A:GLU183 4.1 22.2 1.0
CG2 A:THR353 4.2 15.0 1.0
OD1 A:ASP703 4.2 30.0 1.0
C A:LYS352 4.2 23.4 1.0
N A:LYS352 4.3 22.6 1.0
CB A:ASP351 4.5 21.3 1.0
O A:THR181 4.7 22.4 1.0
CA A:LYS352 4.8 22.3 1.0
OG1 A:THR625 4.9 19.3 1.0
N A:GLY354 5.0 25.0 1.0

Fluorine binding site 4 out of 8 in 3n5k

Go back to Fluorine Binding Sites List in 3n5k
Fluorine binding site 4 out of 8 in the Structure of the (Sr)CA2+-Atpase E2-ALF4- Form


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of the (Sr)CA2+-Atpase E2-ALF4- Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2002

b:25.1
occ:1.00
 F4 A:ALF2002 0.0 25.1 1.0
AL A:ALF2002 1.8 24.9 1.0
N A:GLY626 2.5 24.8 1.0
F1 A:ALF2002 2.5 27.4 1.0
F2 A:ALF2002 2.6 23.4 1.0
OD1 A:ASP351 2.7 23.8 1.0
NZ A:LYS684 2.7 22.9 1.0
O A:HOH1365 2.7 23.3 1.0
CA A:THR625 2.9 25.9 1.0
C A:THR625 3.1 25.7 1.0
OG1 A:THR625 3.3 19.3 1.0
F3 A:ALF2002 3.5 23.1 1.0
O A:ILE624 3.6 24.8 1.0
CA A:GLY626 3.6 21.3 1.0
CB A:THR625 3.6 22.2 1.0
CE A:LYS684 3.7 26.1 1.0
O A:THR181 3.8 22.4 1.0
ND2 A:ASN706 3.9 20.9 1.0
CG A:ASP351 3.9 24.2 1.0
N A:THR625 4.0 23.9 1.0
C A:ILE624 4.2 24.0 1.0
O A:THR625 4.3 26.2 1.0
N A:LYS352 4.5 22.6 1.0
N A:ASP627 4.6 24.2 1.0
C A:GLY626 4.6 23.0 1.0
CB A:ASP351 4.6 21.3 1.0
O A:HOH1279 4.7 23.0 1.0
OD1 A:ASP707 4.7 26.2 1.0
C A:THR181 4.7 23.8 1.0
CA A:ASP351 4.7 21.4 1.0
OD2 A:ASP351 4.8 23.9 1.0
OE2 A:GLU183 5.0 22.2 1.0

Fluorine binding site 5 out of 8 in 3n5k

Go back to Fluorine Binding Sites List in 3n5k
Fluorine binding site 5 out of 8 in the Structure of the (Sr)CA2+-Atpase E2-ALF4- Form


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of the (Sr)CA2+-Atpase E2-ALF4- Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2002

b:28.6
occ:1.00
 F1 B:ALF2002 0.0 28.6 1.0
AL B:ALF2002 1.8 24.9 1.0
F4 B:ALF2002 2.5 25.2 1.0
O B:HOH1311 2.5 22.3 1.0
F3 B:ALF2002 2.5 23.6 1.0
O B:HOH1228 2.6 29.4 1.0
ND2 B:ASN706 2.7 20.1 1.0
OD1 B:ASP351 2.8 22.7 1.0
CA B:GLY182 3.0 25.6 1.0
O B:THR181 3.3 24.9 1.0
OD1 B:ASN706 3.3 25.9 1.0
CG B:ASN706 3.4 24.9 1.0
MG B:MG2001 3.4 28.4 1.0
N B:GLY182 3.5 22.5 1.0
F2 B:ALF2002 3.6 23.3 1.0
NZ B:LYS684 3.6 23.0 1.0
CG B:ASP351 3.7 26.1 1.0
C B:THR181 3.7 23.3 1.0
C B:GLY182 4.0 24.2 1.0
OD2 B:ASP351 4.0 25.4 1.0
OD2 B:ASP707 4.2 26.6 1.0
O B:GLY182 4.3 22.6 1.0
OD1 B:ASP707 4.3 24.5 1.0
O B:HOH1226 4.3 27.0 1.0
N B:GLY626 4.5 22.4 1.0
CE B:LYS684 4.6 26.1 1.0
CG B:ASP707 4.6 27.1 1.0
CB B:ASN706 4.9 24.1 1.0
CB B:ASP351 4.9 23.1 1.0
N B:GLU183 4.9 25.9 1.0
CA B:THR181 5.0 21.5 1.0

Fluorine binding site 6 out of 8 in 3n5k

Go back to Fluorine Binding Sites List in 3n5k
Fluorine binding site 6 out of 8 in the Structure of the (Sr)CA2+-Atpase E2-ALF4- Form


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of the (Sr)CA2+-Atpase E2-ALF4- Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2002

b:23.3
occ:1.00
 F2 B:ALF2002 0.0 23.3 1.0
AL B:ALF2002 1.8 24.9 1.0
F3 B:ALF2002 2.5 23.6 1.0
OD1 B:ASP351 2.5 22.7 1.0
F4 B:ALF2002 2.6 25.2 1.0
O B:HOH1311 2.6 22.3 1.0
OG1 B:THR625 2.7 22.5 1.0
N B:THR353 2.8 26.4 1.0
N B:LYS352 2.9 22.2 1.0
CB B:LYS352 3.3 21.0 1.0
CA B:LYS352 3.3 24.2 1.0
CB B:THR625 3.4 23.1 1.0
CG B:ASP351 3.4 26.1 1.0
C B:LYS352 3.5 25.7 1.0
F1 B:ALF2002 3.6 28.6 1.0
OG1 B:THR353 3.7 25.4 1.0
CA B:THR625 3.8 22.1 1.0
CB B:THR353 3.8 23.9 1.0
OE2 B:GLU183 3.8 24.6 1.0
CA B:THR353 3.9 22.4 1.0
OD2 B:ASP351 3.9 25.4 1.0
C B:ASP351 4.0 24.0 1.0
N B:GLY626 4.2 22.4 1.0
MG B:MG2001 4.3 28.4 1.0
CA B:ASP351 4.4 23.4 1.0
CG B:LYS352 4.4 23.9 1.0
CB B:ASP351 4.5 23.1 1.0
C B:THR625 4.5 22.2 1.0
O B:ILE624 4.5 27.2 1.0
NZ B:LYS684 4.6 23.0 1.0
CE B:LYS352 4.7 21.0 1.0
O B:LYS352 4.7 27.7 1.0
O B:THR353 4.7 25.9 1.0
CG2 B:THR625 4.8 18.6 1.0
C B:THR353 4.8 23.0 1.0
N B:THR625 4.9 25.1 1.0
N B:ASP627 4.9 24.7 1.0

Fluorine binding site 7 out of 8 in 3n5k

Go back to Fluorine Binding Sites List in 3n5k
Fluorine binding site 7 out of 8 in the Structure of the (Sr)CA2+-Atpase E2-ALF4- Form


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of the (Sr)CA2+-Atpase E2-ALF4- Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2002

b:23.6
occ:1.00
 F3 B:ALF2002 0.0 23.6 1.0
AL B:ALF2002 1.8 24.9 1.0
MG B:MG2001 2.0 28.4 1.0
F2 B:ALF2002 2.5 23.3 1.0
F1 B:ALF2002 2.5 28.6 1.0
OD1 B:ASP351 2.5 22.7 1.0
O B:HOH1311 2.6 22.3 1.0
OD2 B:ASP351 2.8 25.4 1.0
O B:THR353 3.0 25.9 1.0
CG B:ASP351 3.0 26.1 1.0
O B:HOH1228 3.1 29.4 1.0
CB B:THR353 3.1 23.9 1.0
N B:THR353 3.1 26.4 1.0
O B:HOH1226 3.1 27.0 1.0
CA B:THR353 3.4 22.4 1.0
F4 B:ALF2002 3.6 25.2 1.0
C B:THR353 3.6 23.0 1.0
O B:GLY182 3.8 22.6 1.0
OG1 B:THR353 3.8 25.4 1.0
CA B:GLY182 4.1 25.6 1.0
OE2 B:GLU183 4.1 24.6 1.0
C B:LYS352 4.1 25.7 1.0
CG2 B:THR353 4.1 20.4 1.0
OD1 B:ASP703 4.2 28.1 1.0
C B:GLY182 4.2 24.2 1.0
N B:LYS352 4.3 22.2 1.0
CB B:ASP351 4.5 23.1 1.0
O B:THR181 4.7 24.9 1.0
CA B:LYS352 4.7 24.2 1.0
OG1 B:THR625 4.9 22.5 1.0
N B:GLY354 4.9 24.6 1.0
OD2 B:ASP707 4.9 26.6 1.0
CD B:GLU183 4.9 24.7 1.0
O B:LYS352 5.0 27.7 1.0

Fluorine binding site 8 out of 8 in 3n5k

Go back to Fluorine Binding Sites List in 3n5k
Fluorine binding site 8 out of 8 in the Structure of the (Sr)CA2+-Atpase E2-ALF4- Form


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of the (Sr)CA2+-Atpase E2-ALF4- Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F2002

b:25.2
occ:1.00
 F4 B:ALF2002 0.0 25.2 1.0
AL B:ALF2002 1.8 24.9 1.0
F1 B:ALF2002 2.5 28.6 1.0
N B:GLY626 2.6 22.4 1.0
F2 B:ALF2002 2.6 23.3 1.0
NZ B:LYS684 2.6 23.0 1.0
O B:HOH1311 2.6 22.3 1.0
OD1 B:ASP351 2.7 22.7 1.0
CA B:THR625 2.9 22.1 1.0
C B:THR625 3.2 22.2 1.0
OG1 B:THR625 3.4 22.5 1.0
CE B:LYS684 3.5 26.1 1.0
O B:ILE624 3.6 27.2 1.0
F3 B:ALF2002 3.6 23.6 1.0
CB B:THR625 3.7 23.1 1.0
CA B:GLY626 3.7 23.4 1.0
ND2 B:ASN706 3.8 20.1 1.0
O B:THR181 3.9 24.9 1.0
CG B:ASP351 3.9 26.1 1.0
N B:THR625 4.0 25.1 1.0
C B:ILE624 4.2 23.0 1.0
O B:THR625 4.4 22.5 1.0
N B:LYS352 4.5 22.2 1.0
N B:ASP627 4.6 24.7 1.0
OD1 B:ASP707 4.7 24.5 1.0
O B:HOH1228 4.7 29.4 1.0
C B:GLY626 4.7 25.8 1.0
C B:THR181 4.7 23.3 1.0
CB B:ASP351 4.7 23.1 1.0
CA B:ASP351 4.8 23.4 1.0
OD2 B:ASP351 4.8 25.4 1.0
CD B:LYS684 4.9 25.9 1.0
O B:HOH1003 4.9 24.8 1.0
CG B:ASN706 5.0 24.9 1.0

Reference:

M.Bublitz, M.Musgaard, H.Poulsen, L.Thogersen, C.Olesen, B.Schiott, J.P.Morth, J.V.Moller, P.Nissen. Ion Pathways in the Sarcoplasmic Reticulum CA2+-Atpase. J.Biol.Chem. V. 288 10759 2013.
ISSN: ISSN 0021-9258
PubMed: 23400778
DOI: 10.1074/JBC.R112.436550
Page generated: Wed Jul 31 20:50:02 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy