Iron in PDB 6c76: Structure of Iron Containing Alcohol Dehydrogenase From Thermococcus Thioreducens in An Orthorhombic Crystal Form

The structure of Structure of Iron Containing Alcohol Dehydrogenase From Thermococcus Thioreducens in An Orthorhombic Crystal Form, PDB code: 6c76 was solved by S.B.Larson, A.Mcpherson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.04 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.920, 111.978, 142.081, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 20.4

The binding sites of Iron atom in the Structure of Iron Containing Alcohol Dehydrogenase From Thermococcus Thioreducens in An Orthorhombic Crystal Form (pdb code 6c76). 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 Structure of Iron Containing Alcohol Dehydrogenase From Thermococcus Thioreducens in An Orthorhombic Crystal Form, PDB code: 6c76:

Iron binding site 1 out of 1 in the Structure of Iron Containing Alcohol Dehydrogenase From Thermococcus Thioreducens in An Orthorhombic Crystal Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Iron Containing Alcohol Dehydrogenase From Thermococcus Thioreducens in An Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:65.3 occ:1.00 H5N A:NAP402 1.9 32.9 1.0 NE2 A:HIS260 2.4 43.3 1.0 NE2 A:HIS272 2.4 35.3 1.0 OD2 A:ASP193 2.5 36.5 1.0 NE2 A:HIS197 2.5 29.5 1.0 OD1 A:ASP193 2.5 41.0 1.0 CG A:ASP193 2.8 33.9 1.0 C5N A:NAP402 2.9 31.3 1.0 HD2 A:HIS272 3.1 34.9 1.0 CD2 A:HIS260 3.2 36.5 1.0 CD2 A:HIS272 3.2 33.6 1.0 HD2 A:HIS260 3.2 37.2 1.0 CD2 A:HIS197 3.3 27.0 1.0 CE1 A:HIS197 3.3 28.7 1.0 H6N A:NAP402 3.4 32.1 1.0 CE1 A:HIS260 3.4 41.8 1.0 HD2 A:HIS197 3.4 26.9 1.0 HE1 A:HIS197 3.5 28.4 1.0 CE1 A:HIS272 3.6 42.4 1.0 C6N A:NAP402 3.6 32.3 1.0 HE1 A:HIS260 3.7 41.5 1.0 HE1 A:HIS272 3.9 40.4 1.0 OD1 A:ASN276 4.0 41.2 1.0 C4N A:NAP402 4.0 35.5 1.0 H4N A:NAP402 4.1 32.8 1.0 O A:HOH633 4.3 41.3 1.0 CB A:ASP193 4.3 27.8 1.0 ND1 A:HIS197 4.3 27.4 1.0 CG A:HIS197 4.3 24.1 1.0 CG A:HIS260 4.4 33.6 1.0 CG A:HIS272 4.4 37.1 1.0 ND1 A:HIS260 4.5 40.7 1.0 ND1 A:HIS272 4.6 42.2 1.0 HB3 A:ASP193 4.6 28.1 1.0 HD13 A:LEU256 4.6 30.8 1.0 HA A:ASP193 4.7 24.2 1.0 HA A:ALA143 4.7 21.0 1.0 HB2 A:ASP193 4.8 28.2 1.0 CG A:ASN276 4.8 36.0 1.0 O A:ASP193 4.9 21.5 1.0 N1N A:NAP402 4.9 31.4 1.0 H2D A:NAP402 5.0 31.5 1.0 HD12 A:LEU256 5.0 30.7 1.0 CA A:ASP193 5.0 24.1 1.0

S.B.Larson, J.A.Jones, A.Mcpherson. The Structure of An Iron-Containing Alcohol Dehydrogenase From A Hyperthermophilic Archaeon in Two Chemical States. Acta Crystallogr F Struct V. 75 217 2019BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 30950821
DOI: 10.1107/S2053230X19001201