Calcium in PDB 8s4p: Crystal Structure of An Ene-Reductase From Penicillium Steckii

The structure of Crystal Structure of An Ene-Reductase From Penicillium Steckii, PDB code: 8s4p was solved by H.J.Rozeboom, M.W.Fraaije, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.88 / 2.29
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	107.482, 175.292, 107.532, 90, 111.53, 90
R / Rfree (%)	20.1 / 27.5

The structure of Crystal Structure of An Ene-Reductase From Penicillium Steckii also contains other interesting chemical elements:

Chlorine

(Cl)

7 atoms

The binding sites of Calcium atom in the Crystal Structure of An Ene-Reductase From Penicillium Steckii (pdb code 8s4p). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of An Ene-Reductase From Penicillium Steckii, PDB code: 8s4p:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Crystal Structure of An Ene-Reductase From Penicillium Steckii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of An Ene-Reductase From Penicillium Steckii within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca502 b:33.4 occ:1.00 O C:HOH712 2.7 14.1 1.0 O F:HOH710 3.2 17.6 1.0 O C:HOH713 3.4 19.0 1.0 O C:HOH702 3.7 23.9 1.0 OD1 F:ASP67 4.1 20.7 1.0 OE1 C:GLU202 4.2 27.6 1.0 OE2 C:GLU202 4.7 21.5 1.0 CD C:GLU202 4.8 21.4 1.0

Calcium binding site 2 out of 6 in the Crystal Structure of An Ene-Reductase From Penicillium Steckii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of An Ene-Reductase From Penicillium Steckii within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca502 b:25.0 occ:1.00 O B:HOH720 2.0 7.7 1.0 O D:HOH728 2.4 9.7 1.0 O D:HOH610 2.8 16.9 1.0 O B:HOH736 3.1 14.8 1.0 O D:HOH714 3.9 18.6 1.0 OE1 D:GLU202 4.1 27.2 1.0 O D:HOH686 4.4 17.2 1.0 CD D:GLU202 4.6 21.5 1.0 OE2 D:GLU202 4.6 27.0 1.0 OD1 B:ASP67 4.9 17.6 1.0 CB A:PHE17 5.0 18.0 1.0

Calcium binding site 3 out of 6 in the Crystal Structure of An Ene-Reductase From Penicillium Steckii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of An Ene-Reductase From Penicillium Steckii within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca502 b:46.4 occ:1.00 O E:HOH685 2.6 16.1 1.0 O H:HOH717 3.2 25.6 1.0 O H:HOH701 3.6 33.4 1.0 OD1 E:ASP67 4.1 16.6 1.0 OE1 H:GLU202 4.4 28.7 1.0 O E:HOH650 4.4 15.8 1.0 CB F:PHE17 4.5 20.0 1.0 O E:HOH623 4.8 21.4 1.0 CD H:GLU202 4.9 29.3 1.0 CG F:PHE17 4.9 24.4 1.0

Calcium binding site 4 out of 6 in the Crystal Structure of An Ene-Reductase From Penicillium Steckii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of An Ene-Reductase From Penicillium Steckii within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca503 b:41.9 occ:1.00 O G:HOH730 2.5 25.5 1.0 OD1 G:ASP67 4.0 22.9 1.0 OE2 F:GLU202 4.5 45.3 1.0

Calcium binding site 5 out of 6 in the Crystal Structure of An Ene-Reductase From Penicillium Steckii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of An Ene-Reductase From Penicillium Steckii within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca502 b:48.6 occ:1.00 O A:HOH662 2.5 25.3 1.0 O G:HOH722 2.7 24.9 1.0 OE1 G:GLU202 4.1 26.4 1.0 OD1 A:ASP67 4.1 17.9 1.0 CD G:GLU202 4.6 24.4 1.0 OE2 G:GLU202 4.6 33.1 1.0 O B:HOH700 4.7 23.3 1.0 CB B:PHE17 4.8 21.6 1.0

Calcium binding site 6 out of 6 in the Crystal Structure of An Ene-Reductase From Penicillium Steckii


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of An Ene-Reductase From Penicillium Steckii within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca502 b:32.2 occ:1.00 O B:HOH741 2.2 19.6 1.0 O B:HOH717 2.9 20.8 1.0 O B:HOH726 3.0 22.0 1.0 O B:HOH745 3.1 13.7 1.0 O B:HOH723 4.0 14.9 1.0 OD1 H:ASP67 4.0 21.6 1.0 OE1 B:GLU202 4.3 34.8 1.0 O H:HOH656 4.4 26.7 1.0 CG H:ASP67 5.0 21.2 1.0

P.H.Damada, H.J.Rozeboom, A.L.M.Porto, M.W.Fraaije. Obtaining and Characterization of Six Novel Ene-Reductases Form Different Penicillium Steckii Strais To Be Published.