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Aluminium in PDB 3b9r: Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin

Enzymatic activity of Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin

All present enzymatic activity of Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin:
3.6.3.8;

Protein crystallography data

The structure of Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin, PDB code: 3b9r was solved by C.Olesen, M.Picard, A.M.L.Winther, 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) 19.99 / 3.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 131.980, 94.430, 136.180, 90.00, 107.79, 90.00
R / Rfree (%) 18.5 / 23.5

Other elements in 3b9r:

The structure of Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin also contains other interesting chemical elements:

Fluorine (F) 8 atoms
Magnesium (Mg) 2 atoms
Potassium (K) 2 atoms

Aluminium Binding Sites:

The binding sites of Aluminium atom in the Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin (pdb code 3b9r). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 2 binding sites of Aluminium where determined in the Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin, PDB code: 3b9r:
Jump to Aluminium binding site number: 1; 2;

Aluminium binding site 1 out of 2 in 3b9r

Go back to Aluminium Binding Sites List in 3b9r
Aluminium binding site 1 out of 2 in the Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Al995

b:50.2
occ:1.00
AL A:ALF995 0.0 50.2 1.0
F4 A:ALF995 1.8 47.6 1.0
F1 A:ALF995 1.8 49.3 1.0
F2 A:ALF995 1.8 18.5 1.0
F3 A:ALF995 1.8 48.1 1.0
O A:HOH1001 1.9 58.6 1.0
OD1 A:ASP351 2.0 54.5 1.0
CG A:ASP351 3.2 49.5 1.0
O A:HOH999 3.4 41.4 1.0
MG A:MG996 3.6 23.8 1.0
NZ A:LYS684 3.7 41.3 1.0
OG1 A:THR625 3.7 33.5 1.0
N A:THR353 3.8 52.9 1.0
OD2 A:ASP351 3.8 55.4 1.0
N A:LYS352 3.9 34.8 1.0
N A:GLY626 4.0 45.1 1.0
OE2 A:GLU183 4.1 59.0 1.0
CA A:THR625 4.2 45.2 1.0
CB A:ASP351 4.3 42.4 1.0
O A:THR181 4.3 42.2 1.0
CB A:THR353 4.3 41.8 1.0
O A:THR353 4.4 50.5 1.0
CA A:GLY182 4.4 25.7 1.0
ND2 A:ASN706 4.4 47.4 1.0
O A:GLY182 4.5 51.2 1.0
CB A:THR625 4.5 41.7 1.0
CA A:ASP351 4.6 45.9 1.0
CA A:THR353 4.6 38.0 1.0
C A:THR625 4.6 46.6 1.0
C A:GLY182 4.7 50.2 1.0
C A:ASP351 4.7 50.3 1.0
CA A:LYS352 4.7 41.7 1.0
C A:LYS352 4.7 49.5 1.0
O A:ILE624 4.8 47.6 1.0
OG1 A:THR353 4.8 58.9 1.0
CB A:LYS352 4.9 28.4 1.0
CA A:GLY626 5.0 41.7 1.0
C A:THR353 5.0 48.9 1.0

Aluminium binding site 2 out of 2 in 3b9r

Go back to Aluminium Binding Sites List in 3b9r
Aluminium binding site 2 out of 2 in the Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Serca CA2+-Atpase E2 Aluminium Fluoride Complex Without Thapsigargin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Al995

b:69.7
occ:1.00
AL B:ALF995 0.0 69.7 1.0
F2 B:ALF995 1.8 50.6 1.0
F3 B:ALF995 1.8 42.6 1.0
F4 B:ALF995 1.8 61.1 1.0
F1 B:ALF995 1.8 60.2 1.0
O B:HOH1001 1.8 39.8 1.0
OD1 B:ASP351 1.9 69.0 1.0
CG B:ASP351 3.0 66.5 1.0
NZ B:LYS684 3.5 56.4 1.0
O B:HOH1000 3.6 49.1 1.0
OD2 B:ASP351 3.6 56.2 1.0
MG B:MG996 3.7 43.1 1.0
OG1 B:THR625 3.8 56.2 1.0
O B:THR181 3.9 54.8 1.0
CA B:GLY182 4.0 58.5 1.0
OE2 B:GLU183 4.0 72.9 1.0
N B:LYS352 4.0 59.7 1.0
N B:GLY626 4.0 59.3 1.0
N B:THR353 4.2 70.3 1.0
CB B:ASP351 4.2 69.6 1.0
CA B:THR625 4.3 72.7 1.0
CB B:THR353 4.5 53.1 1.0
C B:GLY182 4.5 55.1 1.0
O B:GLY182 4.5 56.8 1.0
OG1 B:THR353 4.6 68.1 1.0
O B:THR353 4.6 57.8 1.0
CA B:ASP351 4.6 78.0 1.0
C B:ASP351 4.6 77.1 1.0
CE B:LYS684 4.6 61.2 1.0
CB B:THR625 4.7 62.2 1.0
O B:ILE624 4.7 84.1 1.0
C B:THR181 4.7 55.5 1.0
C B:THR625 4.7 76.8 1.0
ND2 B:ASN706 4.7 54.7 1.0
CA B:LYS352 4.8 65.2 1.0
N B:GLY182 4.8 53.6 1.0
C B:LYS352 4.8 70.4 1.0
CA B:THR353 4.9 52.9 1.0
CB B:LYS352 4.9 73.2 1.0
OD1 B:ASN706 5.0 45.7 1.0
OD1 B:ASP707 5.0 67.0 1.0
CA B:GLY626 5.0 56.2 1.0

Reference:

C.Olesen, M.Picard, A.M.L.Winther, C.Gyrup, J.P.Morth, C.Oxvig, J.V.Moller, P.Nissen. The Structural Basis of Calcium Transport By the Calcium Pump Nature V. 450 1036 2007.
ISSN: ISSN 0028-0836
PubMed: 18075584
DOI: 10.1038/NATURE06418
Page generated: Wed Jul 10 09:35:00 2024

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