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Calcium in PDB 4nas: The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446

Enzymatic activity of The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446

All present enzymatic activity of The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446:
4.1.1.39;

Protein crystallography data

The structure of The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446, PDB code: 4nas was solved by K.Tan, H.Li, S.Clancy, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.50 / 1.92
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 56.763, 175.671, 83.653, 90.00, 107.67, 90.00
R / Rfree (%) 19.5 / 25.1

Other elements in 4nas:

The structure of The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446 (pdb code 4nas). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446, PDB code: 4nas:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in 4nas

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Calcium binding site 1 out of 7 in the The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:32.5
occ:1.00
 OQ2 A:KCX175 2.2 32.0 1.0
OE1 A:GLU178 2.3 25.0 1.0
O A:HOH728 2.3 27.2 1.0
OD1 A:ASP177 2.4 25.8 1.0
O A:HOH729 2.4 30.4 1.0
O A:HOH720 2.4 26.2 1.0
CD A:GLU178 3.2 28.5 1.0
CX A:KCX175 3.3 33.2 1.0
OE2 A:GLU178 3.5 26.5 1.0
OQ1 A:KCX175 3.6 29.6 1.0
CG A:ASP177 3.6 31.4 1.0
O B:HOH775 4.0 39.8 1.0
N A:GLU178 4.1 21.2 1.0
OD2 A:ASP177 4.3 25.0 1.0
CE B:LYS100 4.4 53.1 1.0
CE1 A:HIS266 4.5 16.1 1.0
CA A:ASP177 4.5 21.8 1.0
NZ A:KCX175 4.5 16.3 1.0
O A:HOH727 4.6 45.2 1.0
CG2 A:ILE147 4.6 20.4 1.0
CG A:GLU178 4.6 24.6 1.0
O A:HOH693 4.6 35.3 1.0
CB A:ASP177 4.7 24.2 1.0
O A:HOH723 4.7 43.7 1.0
NZ B:LYS100 4.7 56.2 1.0
C A:ASP177 4.8 20.7 1.0
CB A:GLU178 4.9 21.0 1.0

Calcium binding site 2 out of 7 in 4nas

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Calcium binding site 2 out of 7 in the The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca504

b:49.0
occ:1.00
 O A:HOH793 2.4 29.4 1.0
O A:PRO123 2.4 23.2 1.0
O A:HOH791 2.7 45.3 1.0
O A:HOH790 2.7 35.7 1.0
O A:HOH792 2.8 35.4 1.0
C A:PRO123 3.6 23.9 1.0
O A:HOH717 3.9 30.8 1.0
CA A:PRO123 4.1 25.0 1.0
O A:HOH657 4.5 21.5 1.0
N A:GLY124 4.7 24.6 1.0
CB A:PRO123 4.9 25.4 1.0
O A:GLY124 4.9 26.9 1.0
ND1 A:HIS328 4.9 29.5 1.0
O A:PHE122 4.9 25.6 1.0
CA A:GLY124 4.9 26.9 1.0
O A:PRO125 5.0 30.4 1.0

Calcium binding site 3 out of 7 in 4nas

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Calcium binding site 3 out of 7 in the The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca503

b:34.6
occ:1.00
 O B:HOH794 2.2 29.1 1.0
OE1 B:GLU178 2.3 27.6 1.0
O B:HOH727 2.3 29.2 1.0
OD1 B:ASP177 2.3 25.1 1.0
OQ1 B:KCX175 2.3 35.7 1.0
O B:HOH746 2.6 24.3 1.0
CD B:GLU178 3.2 24.8 1.0
OE2 B:GLU178 3.4 32.2 1.0
CG B:ASP177 3.4 27.4 1.0
CX B:KCX175 3.5 33.1 1.0
OQ2 B:KCX175 3.9 40.2 1.0
OD2 B:ASP177 4.0 30.6 1.0
N B:GLU178 4.1 23.6 1.0
O B:HOH760 4.2 28.8 1.0
O B:HOH785 4.4 37.9 1.0
CA B:ASP177 4.4 19.8 1.0
CB B:ASP177 4.5 20.9 1.0
NE2 B:HIS266 4.6 18.2 1.0
O B:HOH686 4.6 34.1 1.0
CG B:GLU178 4.6 23.0 1.0
CG2 B:ILE147 4.6 29.4 1.0
NZ B:KCX175 4.7 26.2 1.0
C B:ASP177 4.7 24.8 1.0
CB B:GLU178 4.9 17.2 1.0

Calcium binding site 4 out of 7 in 4nas

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Calcium binding site 4 out of 7 in the The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca504

b:40.7
occ:1.00
 O B:HOH800 2.3 33.6 1.0
O B:PRO123 2.4 19.1 1.0
O B:HOH802 2.5 42.6 1.0
O B:HOH795 2.5 28.4 1.0
O B:HOH801 2.6 32.0 1.0
O B:HOH803 2.9 35.1 1.0
O B:HOH784 3.0 51.5 1.0
C B:PRO123 3.5 24.3 1.0
CA B:PRO123 3.9 24.1 1.0
O B:HOH714 4.2 27.1 1.0
N B:GLY124 4.6 24.1 1.0
O B:HOH642 4.6 23.1 1.0
O B:PHE122 4.7 19.0 1.0
CB B:PRO123 4.7 23.7 1.0
ND1 B:HIS328 4.7 22.0 1.0
O B:GLY124 4.8 21.0 1.0
CA B:GLY124 4.9 21.9 1.0

Calcium binding site 5 out of 7 in 4nas

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Calcium binding site 5 out of 7 in the The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca501

b:44.9
occ:1.00
 OD1 C:ASP177 2.3 33.1 1.0
O C:HOH724 2.4 46.4 1.0
OE1 C:GLU178 2.4 43.2 1.0
OQ2 C:KCX175 2.5 47.0 1.0
OQ1 C:KCX175 3.0 53.5 1.0
CX C:KCX175 3.1 49.1 1.0
CG C:ASP177 3.4 46.0 1.0
CD C:GLU178 3.5 39.0 1.0
OE2 C:GLU178 4.0 37.3 1.0
N C:GLU178 4.1 31.6 1.0
OD2 C:ASP177 4.1 51.6 1.0
NE2 C:HIS266 4.4 32.6 1.0
CA C:ASP177 4.4 36.4 1.0
CG2 C:ILE147 4.4 39.5 1.0
NZ C:KCX175 4.5 48.0 1.0
CB C:ASP177 4.5 39.9 1.0
C C:ASP177 4.8 26.5 1.0
CG C:GLU178 4.8 31.0 1.0
CB C:GLU178 4.9 26.1 1.0
O C:HOH709 5.0 50.3 1.0

Calcium binding site 6 out of 7 in 4nas

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Calcium binding site 6 out of 7 in the The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca502

b:44.9
occ:1.00
 O C:HOH728 2.4 24.6 1.0
O C:HOH732 2.7 36.9 1.0
O C:PRO123 2.8 41.8 1.0
O C:HOH733 2.8 34.7 1.0
C C:PRO123 3.9 37.1 1.0
O C:HOH680 4.2 27.0 1.0
O C:HOH636 4.3 32.4 1.0
CA C:PRO123 4.5 36.1 1.0
ND1 C:HIS328 4.6 37.9 1.0
O C:PHE122 4.9 45.6 1.0
O C:HOH720 5.0 45.6 1.0
CE1 C:HIS328 5.0 40.0 1.0

Calcium binding site 7 out of 7 in 4nas

Go back to Calcium Binding Sites List in 4nas
Calcium binding site 7 out of 7 in the The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca501

b:51.8
occ:1.00
 OE1 D:GLU178 2.5 49.4 1.0
OQ2 D:KCX175 2.5 49.0 1.0
O D:HOH705 2.6 60.3 1.0
OD1 D:ASP177 2.6 53.6 1.0
CD D:GLU178 3.5 51.3 1.0
O C:HOH666 3.5 47.9 1.0
CG D:ASP177 3.6 50.6 1.0
CX D:KCX175 3.7 54.0 1.0
OE2 D:GLU178 3.7 57.8 1.0
OD2 D:ASP177 4.0 47.5 1.0
O D:HOH634 4.1 44.0 1.0
OQ1 D:KCX175 4.2 57.4 1.0
N D:GLU178 4.4 40.0 1.0
CG2 D:ILE147 4.6 45.0 1.0
CD C:LYS100 4.7 64.1 1.0
CA D:ASP177 4.7 42.5 1.0
NE2 D:HIS266 4.7 41.0 1.0
CB D:ASP177 4.7 45.2 1.0
O D:HOH679 4.8 49.2 1.0
NZ D:KCX175 4.8 52.5 1.0
CG D:GLU178 4.8 37.1 1.0

Reference:

K.Tan, H.Li, S.Clancy, A.Joachimiak. The Crystal Structure of A Rubisco-Like Protein (Mtnw) From Alicyclobacillus Acidocaldarius Subsp. Acidocaldarius Dsm 446. To Be Published.
Page generated: Sun Jul 14 10:59:20 2024

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