Iron in PDB 4ilt: Structure of the Dioxygenase Domain of SACTE_2871, A Novel Dioxygenase Carbohydrate-Binding Protein Fusion From the Cellulolytic Bacterium Streptomyces Sp. Sirexaa-E

The structure of Structure of the Dioxygenase Domain of SACTE_2871, A Novel Dioxygenase Carbohydrate-Binding Protein Fusion From the Cellulolytic Bacterium Streptomyces Sp. Sirexaa-E, PDB code: 4ilt was solved by C.M.Bianchetti, T.E.Takasuka, L.F.Bergeman, C.H.Harmann, B.G.Fox, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.56 / 2.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.192, 85.125, 70.264, 90.00, 95.53, 90.00
R / Rfree (%)	20.3 / 26.8

The structure of Structure of the Dioxygenase Domain of SACTE_2871, A Novel Dioxygenase Carbohydrate-Binding Protein Fusion From the Cellulolytic Bacterium Streptomyces Sp. Sirexaa-E also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the Structure of the Dioxygenase Domain of SACTE_2871, A Novel Dioxygenase Carbohydrate-Binding Protein Fusion From the Cellulolytic Bacterium Streptomyces Sp. Sirexaa-E (pdb code 4ilt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of the Dioxygenase Domain of SACTE_2871, A Novel Dioxygenase Carbohydrate-Binding Protein Fusion From the Cellulolytic Bacterium Streptomyces Sp. Sirexaa-E, PDB code: 4ilt:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of the Dioxygenase Domain of SACTE_2871, A Novel Dioxygenase Carbohydrate-Binding Protein Fusion From the Cellulolytic Bacterium Streptomyces Sp. Sirexaa-E


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Dioxygenase Domain of SACTE_2871, A Novel Dioxygenase Carbohydrate-Binding Protein Fusion From the Cellulolytic Bacterium Streptomyces Sp. Sirexaa-E within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:25.7 occ:1.00 OH A:TYR138 1.9 27.6 1.0 NE2 A:HIS173 1.9 27.1 1.0 NE2 A:HIS175 2.0 30.3 1.0 O A:HOH449 2.0 25.4 1.0 CZ A:TYR138 2.8 29.2 1.0 CD2 A:HIS173 2.9 24.6 1.0 CE1 A:HIS175 2.9 28.9 1.0 CE1 A:HIS173 3.0 24.1 1.0 CD2 A:HIS175 3.0 24.2 1.0 CE2 A:TYR138 3.4 29.6 1.0 CE1 A:TYR138 3.6 27.8 1.0 O A:HOH407 4.0 27.7 1.0 CG A:HIS173 4.0 21.7 1.0 ND1 A:HIS175 4.1 19.7 1.0 ND1 A:HIS173 4.1 24.7 1.0 CG A:HIS175 4.1 23.8 1.0 O A:HOH401 4.1 26.0 1.0 NH1 A:ARG170 4.2 30.9 1.0 CD2 A:TYR138 4.6 28.4 1.0 CD1 A:TYR138 4.8 32.8 1.0

Iron binding site 2 out of 4 in the Structure of the Dioxygenase Domain of SACTE_2871, A Novel Dioxygenase Carbohydrate-Binding Protein Fusion From the Cellulolytic Bacterium Streptomyces Sp. Sirexaa-E


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Dioxygenase Domain of SACTE_2871, A Novel Dioxygenase Carbohydrate-Binding Protein Fusion From the Cellulolytic Bacterium Streptomyces Sp. Sirexaa-E within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:29.5 occ:1.00 OH B:TYR138 1.9 30.9 1.0 NE2 B:HIS175 1.9 24.2 1.0 NE2 B:HIS173 2.1 26.7 1.0 O B:HOH423 2.4 31.2 1.0 CZ B:TYR138 2.7 30.1 1.0 CE1 B:HIS175 2.7 27.1 1.0 CE1 B:HIS173 3.0 27.4 1.0 CD2 B:HIS175 3.0 26.0 1.0 CD2 B:HIS173 3.2 27.1 1.0 CE2 B:TYR138 3.2 33.4 1.0 CE1 B:TYR138 3.6 34.1 1.0 ND1 B:HIS175 3.9 23.6 1.0 O B:HOH403 4.0 20.1 1.0 CG B:HIS175 4.1 23.6 1.0 ND1 B:HIS173 4.2 28.8 1.0 CG B:HIS173 4.3 22.9 1.0 CD2 B:TYR138 4.5 33.5 1.0 NH1 B:ARG170 4.6 34.1 1.0 CD1 B:TYR138 4.8 32.8 1.0 CD2 B:TYR87 4.8 36.8 1.0

Iron binding site 3 out of 4 in the Structure of the Dioxygenase Domain of SACTE_2871, A Novel Dioxygenase Carbohydrate-Binding Protein Fusion From the Cellulolytic Bacterium Streptomyces Sp. Sirexaa-E


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Dioxygenase Domain of SACTE_2871, A Novel Dioxygenase Carbohydrate-Binding Protein Fusion From the Cellulolytic Bacterium Streptomyces Sp. Sirexaa-E within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe301 b:28.9 occ:1.00 OH C:TYR138 1.8 32.0 1.0 NE2 C:HIS173 2.0 30.5 1.0 NE2 C:HIS175 2.0 39.8 1.0 O C:HOH445 2.2 34.1 1.0 CZ C:TYR138 2.6 37.1 1.0 CD2 C:HIS173 2.9 30.8 1.0 CD2 C:HIS175 2.9 34.0 1.0 CE1 C:HIS173 3.0 29.7 1.0 CE1 C:HIS175 3.1 34.9 1.0 CE2 C:TYR138 3.1 40.1 1.0 CE1 C:TYR138 3.6 39.1 1.0 ND1 C:HIS173 4.1 27.7 1.0 CG C:HIS173 4.1 27.8 1.0 CG C:HIS175 4.1 29.4 1.0 ND1 C:HIS175 4.1 25.4 1.0 NH1 C:ARG170 4.2 35.7 1.0 O C:HOH410 4.3 31.7 1.0 O C:HOH402 4.3 31.0 1.0 CD2 C:TYR138 4.4 37.7 1.0 CD1 C:TYR138 4.7 36.7 1.0

Iron binding site 4 out of 4 in the Structure of the Dioxygenase Domain of SACTE_2871, A Novel Dioxygenase Carbohydrate-Binding Protein Fusion From the Cellulolytic Bacterium Streptomyces Sp. Sirexaa-E


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the Dioxygenase Domain of SACTE_2871, A Novel Dioxygenase Carbohydrate-Binding Protein Fusion From the Cellulolytic Bacterium Streptomyces Sp. Sirexaa-E within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe301 b:43.9 occ:1.00 NE2 D:HIS175 1.9 34.7 1.0 OH D:TYR138 1.9 42.5 1.0 NE2 D:HIS173 2.1 39.6 1.0 CE1 D:HIS175 2.7 38.5 1.0 CZ D:TYR138 2.8 45.6 1.0 CD2 D:HIS175 3.0 41.5 1.0 CD2 D:HIS173 3.0 35.0 1.0 CE1 D:HIS173 3.0 39.1 1.0 CE2 D:TYR138 3.3 49.1 1.0 CE1 D:TYR138 3.8 48.4 1.0 ND1 D:HIS175 3.9 39.6 1.0 CG D:HIS175 4.1 35.2 1.0 ND1 D:HIS173 4.2 38.5 1.0 NH1 D:ARG170 4.2 42.1 1.0 CG D:HIS173 4.2 34.2 1.0 O D:HOH401 4.4 35.3 1.0 CD2 D:TYR138 4.6 50.1 1.0 O D:HOH415 4.6 46.7 1.0 CD2 D:TYR87 4.7 55.6 1.0 CD1 D:TYR138 4.9 50.5 1.0

C.M.Bianchetti, C.H.Harmann, T.E.Takasuka, G.L.Hura, K.Dyer, B.G.Fox. Fusion of Dioxygenase and Lignin-Binding Domains in A Novel Secreted Enzyme From Cellulolytic Streptomyces Sp. Sirexaa-E. J.Biol.Chem. V. 288 18574 2013.
ISSN: ISSN 0021-9258
PubMed: 23653358
DOI: 10.1074/JBC.M113.475848