Calcium in PDB 6uff: Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria

The structure of Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria, PDB code: 6uff was solved by B.Sandoval, P.D.Jeffrey, T.Hyster, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.52 / 2.01
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	81.565, 95.589, 99.903, 66.79, 89.91, 82.58
R / Rfree (%)	17.3 / 22.3

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>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Calcium atom in the Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria (pdb code 6uff). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria, PDB code: 6uff:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 12 in the Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:43.0 occ:1.00 O A:GLU52 2.4 32.1 1.0 OE2 A:GLU54 2.4 45.9 1.0 O A:HOH781 2.4 47.2 1.0 O A:HOH704 2.4 40.7 1.0 O A:HOH775 2.5 44.2 1.0 OE1 A:GLU54 2.5 39.4 1.0 CD A:GLU54 2.8 41.3 1.0 C A:GLU52 3.6 31.7 1.0 CA A:GLU52 4.3 31.4 1.0 CG A:GLU54 4.4 36.7 1.0 CB A:GLU52 4.4 32.3 1.0 N A:LEU53 4.6 33.5 1.0 NE2 A:GLN49 4.7 29.9 1.0 N A:GLU54 4.8 31.2 1.0 CA A:LEU53 4.8 30.4 1.0 O A:HOH780 4.8 39.2 1.0

Calcium binding site 2 out of 12 in the Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:59.0 occ:1.00 O A:HOH776 2.4 48.7 1.0 O A:ASP324 2.4 33.6 1.0 O A:HOH764 2.4 46.7 1.0 O A:HOH788 2.5 41.6 1.0 C A:ASP324 3.6 31.5 1.0 CA A:ASP324 4.3 29.1 1.0 CB A:ASP324 4.4 33.0 1.0 N A:ARG325 4.6 25.1 1.0 CA A:ARG325 4.7 28.9 1.0

Calcium binding site 3 out of 12 in the Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca502 b:43.2 occ:1.00 O B:HOH777 2.4 42.9 1.0 OE2 B:GLU54 2.4 40.6 1.0 O B:GLU52 2.4 31.6 1.0 OE1 B:GLU54 2.5 42.6 1.0 O B:HOH787 2.5 42.6 1.0 CD B:GLU54 2.8 41.8 1.0 C B:GLU52 3.6 29.2 1.0 CG B:GLU54 4.3 34.5 1.0 CA B:GLU52 4.4 26.9 1.0 NE2 B:GLN49 4.6 27.2 1.0 CB B:GLU52 4.6 33.4 1.0 N B:LEU53 4.6 25.1 1.0 N B:GLU54 4.6 30.1 1.0 O B:HOH770 4.7 35.2 1.0 CA B:LEU53 4.7 27.4 1.0

Calcium binding site 4 out of 12 in the Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca502 b:43.8 occ:1.00 O C:HOH814 2.4 47.5 1.0 O C:GLU52 2.4 32.9 1.0 O G:HOH752 2.4 34.1 1.0 O C:HOH626 2.4 41.4 1.0 O C:HOH795 2.5 40.8 1.0 OE2 C:GLU54 2.5 40.6 1.0 OE1 C:GLU54 2.6 40.7 1.0 CD C:GLU54 2.9 38.0 1.0 C C:GLU52 3.5 36.3 1.0 CA C:GLU52 4.3 30.5 1.0 CB C:GLU52 4.4 30.1 1.0 CG C:GLU54 4.4 35.9 1.0 O C:HOH800 4.5 36.1 1.0 OE2 G:GLU54 4.5 37.0 1.0 N C:LEU53 4.6 25.7 1.0 NE2 C:GLN49 4.7 23.4 1.0 CA C:LEU53 4.8 30.0 1.0 N C:GLU54 4.8 29.8 1.0 OE1 G:GLN49 4.8 31.5 1.0

Calcium binding site 5 out of 12 in the Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca503 b:44.8 occ:1.00 O C:HOH806 2.3 41.9 1.0 O C:HOH807 2.4 47.3 1.0 O C:ASP324 2.4 31.4 1.0 O C:HOH784 2.5 45.3 1.0 O C:HOH786 2.5 44.9 1.0 C C:ASP324 3.6 27.2 1.0 CA C:ASP324 4.5 29.0 1.0 N C:ARG325 4.6 24.6 1.0 CA C:ARG325 4.6 23.4 1.0 CB C:ASP324 4.8 25.6 1.0 O C:HOH651 4.9 38.0 1.0

Calcium binding site 6 out of 12 in the Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca502 b:50.4 occ:1.00 O D:HOH772 2.4 46.2 1.0 OE2 D:GLU54 2.4 41.5 1.0 O D:GLU52 2.4 33.3 1.0 O D:HOH789 2.5 47.2 1.0 OE1 D:GLU54 2.5 40.4 1.0 CD D:GLU54 2.8 42.6 1.0 C D:GLU52 3.6 36.1 1.0 O D:HOH777 3.9 42.4 1.0 CG D:GLU54 4.3 38.6 1.0 CA D:GLU52 4.4 35.0 1.0 NE2 D:GLN49 4.5 27.8 1.0 CB D:GLU52 4.6 34.7 1.0 N D:GLU54 4.6 31.4 1.0 N D:LEU53 4.6 31.6 1.0 CA D:LEU53 4.7 30.3 1.0 O D:HOH774 4.8 40.6 1.0 C D:LEU53 5.0 30.4 1.0

Calcium binding site 7 out of 12 in the Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca503 b:47.8 occ:1.00 O D:HOH778 2.4 44.4 1.0 O D:HOH782 2.4 43.1 1.0 O D:ASP324 2.4 28.6 1.0 O D:HOH760 2.5 38.5 1.0 C D:ASP324 3.6 29.6 1.0 O D:HOH602 4.1 41.2 1.0 CA D:ASP324 4.5 25.7 1.0 N D:ARG325 4.6 20.5 1.0 CA D:ARG325 4.6 25.3 1.0 CB D:ASP324 4.7 29.1 1.0

Calcium binding site 8 out of 12 in the Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca502 b:46.9 occ:1.00 OE2 E:GLU54 2.4 41.0 1.0 O E:GLU52 2.4 31.6 1.0 O E:HOH780 2.4 44.9 1.0 O E:HOH748 2.4 48.5 1.0 OE1 E:GLU54 2.5 42.3 1.0 CD E:GLU54 2.8 40.8 1.0 C E:GLU52 3.6 34.0 1.0 CG E:GLU54 4.3 39.7 1.0 CA E:GLU52 4.3 32.9 1.0 CB E:GLU52 4.5 33.7 1.0 NE2 E:GLN49 4.6 26.9 1.0 N E:LEU53 4.6 32.3 1.0 N E:GLU54 4.7 35.5 1.0 O E:HOH763 4.7 39.3 1.0 CA E:LEU53 4.8 31.2 1.0

Calcium binding site 9 out of 12 in the Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca503 b:55.8 occ:1.00 O E:HOH757 2.4 43.1 1.0 O E:HOH776 2.5 43.5 1.0 O E:ASP324 2.5 31.6 1.0 O E:HOH771 2.5 45.9 1.0 C E:ASP324 3.7 29.4 1.0 CA E:ASP324 4.5 31.9 1.0 N E:ARG325 4.6 28.7 1.0 CB E:ASP324 4.6 33.5 1.0 CA E:ARG325 4.7 28.7 1.0

Calcium binding site 10 out of 12 in the Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Structure of Ene-Reductase 1 NOSTOCER1 From Cyanobacteria within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca502 b:46.9 occ:1.00 OE2 F:GLU54 2.3 44.4 1.0 O F:GLU52 2.4 27.7 1.0 O F:HOH774 2.4 48.8 1.0 O F:HOH775 2.4 48.2 1.0 OE1 F:GLU54 2.5 41.3 1.0 CD F:GLU54 2.7 38.4 1.0 C F:GLU52 3.6 31.8 1.0 CG F:GLU54 4.3 34.2 1.0 CA F:GLU52 4.3 33.2 1.0 NE2 F:GLN49 4.4 26.4 1.0 CB F:GLU52 4.5 32.9 1.0 N F:LEU53 4.6 26.6 1.0 N F:GLU54 4.6 29.6 1.0 O F:HOH770 4.7 32.6 1.0 CA F:LEU53 4.7 28.1 1.0

T.Hyster, Y.Nakano, M.J.Black, A.J.Meichan, B.A.Sandoval, M.Chung, K.Biegasiewicz, T.Zhu. Photoenzymatic Hydrogenation of Heteroaromatic Olefins Using 'Ene'-Reductases with Photoredox Catalysts Angew.Chem.Int.Ed.Engl. 2020.
ISSN: ESSN 1521-3773
DOI: 10.1002/ANIE.202003125