Calcium in PDB 3rf7: Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution

The structure of Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution, PDB code: 3rf7 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.95 / 2.12
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	121.074, 121.074, 275.666, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 19.7

The structure of Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Iron	(Fe)	1 atom
Chlorine	(Cl)	4 atoms

The binding sites of Calcium atom in the Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution (pdb code 3rf7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution, PDB code: 3rf7:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution


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 Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca366 b:50.0 occ:1.00 O A:HOH624 2.3 47.6 1.0 O A:HOH625 2.4 32.7 1.0 O A:HOH626 2.4 37.6 1.0 O A:HOH471 2.5 35.0 1.0 OD2 A:ASP43 2.8 30.5 1.0 CG A:ASP43 3.9 28.3 1.0 CB A:ASP43 4.4 27.5 1.0 O A:HOH401 4.6 26.8 1.0 CB A:ASN66 4.6 30.4 1.0 OE1 A:GLN46 4.6 34.9 1.0 O A:HOH688 4.7 49.8 1.0 O A:TYR64 4.9 29.1 1.0 OD1 A:ASP43 4.9 30.8 1.0 O A:HOH498 5.0 41.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution


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 Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca367 b:32.2 occ:1.00 O A:HOH619 2.3 28.4 1.0 OD1 A:ASP68 2.4 31.0 1.0 OD2 A:ASP68 2.4 29.9 1.0 O A:HOH620 2.4 27.9 1.0 O A:HOH525 2.5 33.8 1.0 O A:HOH401 2.6 26.8 1.0 CG A:ASP68 2.8 31.8 1.0 O A:HOH391 4.0 33.2 1.0 O A:HOH527 4.2 36.0 1.0 O A:HOH425 4.3 31.3 1.0 CB A:ASP68 4.3 31.9 1.0 OD1 A:ASP43 4.3 30.8 1.0 OD1 A:ASN66 4.6 31.8 1.0 O A:HOH625 4.7 32.7 1.0 O A:HOH371 4.8 26.2 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.