Iron 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
Calcium	(Ca)	2 atoms
Chlorine	(Cl)	4 atoms

The binding sites of Iron 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 Iron atom.
In total only one binding site of Iron was 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:

Iron binding site 1 out of 1 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 Iron with other atoms in the Fe 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:Fe360 b:45.5 occ:0.35 NI A:NI361 0.4 34.9 0.5 NE2 A:HIS198 2.2 35.7 1.0 OD1 A:ASP194 2.2 36.1 1.0 NE2 A:HIS258 2.3 47.1 1.0 OD2 A:ASP194 2.4 34.6 1.0 NE2 A:HIS272 2.4 35.1 1.0 CG A:ASP194 2.6 33.7 1.0 O2 A:UNL728 2.7 57.8 1.0 C5N A:NAD358 3.1 34.1 1.0 CE1 A:HIS198 3.1 36.1 1.0 CE1 A:HIS258 3.2 49.0 1.0 CD2 A:HIS198 3.2 35.6 1.0 CD2 A:HIS272 3.3 32.7 1.0 CD2 A:HIS258 3.3 46.5 1.0 CE1 A:HIS272 3.4 35.1 1.0 C6N A:NAD358 3.7 32.4 1.0 O1 A:UNL728 3.8 50.7 1.0 ND2 A:ASN276 4.0 42.2 1.0 CB A:ASP194 4.1 32.9 1.0 C4N A:NAD358 4.2 33.0 1.0 ND1 A:HIS198 4.2 35.9 1.0 CG A:HIS198 4.3 35.9 1.0 ND1 A:HIS258 4.4 47.5 1.0 CG A:HIS272 4.4 33.1 1.0 CG A:HIS258 4.5 45.2 1.0 ND1 A:HIS272 4.5 33.1 1.0 O A:ASP194 4.6 31.9 1.0 O A:THR144 4.7 24.9 1.0 CA A:ASP194 4.8 32.2 1.0 C A:ASP194 4.9 31.6 1.0

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