Iron in PDB 1oik: Crystal Structure of the Alkylsulfatase Atsk, A Non-Heme Fe(II) Alphaketoglutarate Dependent Dioxygenase in Complex with Fe, Alphaketoglutarate and 2-Ethyl-1-Hexanesulfuric Acid

The structure of Crystal Structure of the Alkylsulfatase Atsk, A Non-Heme Fe(II) Alphaketoglutarate Dependent Dioxygenase in Complex with Fe, Alphaketoglutarate and 2-Ethyl-1-Hexanesulfuric Acid, PDB code: 1oik was solved by I.Mueller, A.Kahnert, T.Pape, T.Dierks, W.Meyer-Klauke, M.A.Kertesz, I.Uson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.06
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.027, 141.892, 161.718, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 22.1

The binding sites of Iron atom in the Crystal Structure of the Alkylsulfatase Atsk, A Non-Heme Fe(II) Alphaketoglutarate Dependent Dioxygenase in Complex with Fe, Alphaketoglutarate and 2-Ethyl-1-Hexanesulfuric Acid (pdb code 1oik). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Alkylsulfatase Atsk, A Non-Heme Fe(II) Alphaketoglutarate Dependent Dioxygenase in Complex with Fe, Alphaketoglutarate and 2-Ethyl-1-Hexanesulfuric Acid, PDB code: 1oik:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Alkylsulfatase Atsk, A Non-Heme Fe(II) Alphaketoglutarate Dependent Dioxygenase in Complex with Fe, Alphaketoglutarate and 2-Ethyl-1-Hexanesulfuric Acid


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 the Alkylsulfatase Atsk, A Non-Heme Fe(II) Alphaketoglutarate Dependent Dioxygenase in Complex with Fe, Alphaketoglutarate and 2-Ethyl-1-Hexanesulfuric Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1302 b:46.5 occ:1.00 OD2 A:ASP110 1.9 42.7 1.0 O5 A:AKG1301 2.0 51.5 1.0 NE2 A:HIS264 2.1 39.7 1.0 NE2 A:HIS108 2.2 40.1 1.0 O2 A:AKG1301 2.2 54.4 1.0 C2 A:AKG1301 2.7 55.3 1.0 C1 A:AKG1301 2.8 57.4 1.0 CE1 A:HIS264 3.1 41.3 1.0 CG A:ASP110 3.1 43.2 1.0 CD2 A:HIS264 3.1 41.6 1.0 CE1 A:HIS108 3.1 42.0 1.0 CD2 A:HIS108 3.2 39.7 1.0 OD1 A:ASP110 3.5 47.6 1.0 NH2 A:ARG279 3.6 76.5 1.0 O1 A:C261300 3.7 77.4 0.6 O1 A:AKG1301 4.1 64.2 1.0 C3 A:AKG1301 4.2 55.3 1.0 ND1 A:HIS264 4.2 40.9 1.0 CG A:HIS264 4.2 38.3 1.0 ND1 A:HIS108 4.2 41.9 1.0 C1 A:C261300 4.3 78.3 0.6 CG A:HIS108 4.3 38.0 1.0 CB A:ASP110 4.4 44.5 1.0 S1 A:C261300 4.7 72.8 0.6 CZ2 A:TRP257 4.7 42.8 1.0 C4 A:AKG1301 4.7 47.9 1.0 O2 A:C261300 4.8 70.1 0.6 CA A:ASP110 4.8 44.4 1.0 CZ A:ARG279 4.8 79.0 1.0 O4 A:C261300 4.8 62.4 0.6 C3 A:C261300 4.9 78.5 0.6

Iron binding site 2 out of 2 in the Crystal Structure of the Alkylsulfatase Atsk, A Non-Heme Fe(II) Alphaketoglutarate Dependent Dioxygenase in Complex with Fe, Alphaketoglutarate and 2-Ethyl-1-Hexanesulfuric Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Alkylsulfatase Atsk, A Non-Heme Fe(II) Alphaketoglutarate Dependent Dioxygenase in Complex with Fe, Alphaketoglutarate and 2-Ethyl-1-Hexanesulfuric Acid within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe1302 b:41.8 occ:0.70 OD2 D:ASP110 1.9 43.2 1.0 O5 D:AKG1300 1.9 60.2 1.0 NE2 D:HIS264 2.0 38.2 1.0 O2 D:AKG1300 2.0 69.2 1.0 NE2 D:HIS108 2.2 41.6 1.0 C2 D:AKG1300 2.7 63.3 1.0 C1 D:AKG1300 2.7 65.2 1.0 CE1 D:HIS264 2.9 41.6 1.0 CG D:ASP110 3.0 43.6 1.0 CD2 D:HIS264 3.0 42.4 1.0 CE1 D:HIS108 3.1 43.0 1.0 CD2 D:HIS108 3.2 40.5 1.0 OD1 D:ASP110 3.3 48.1 1.0 C1 D:C261301 3.4 66.4 0.6 NH2 D:ARG279 3.6 75.9 1.0 O1 D:AKG1300 3.9 71.1 1.0 ND1 D:HIS264 4.0 41.4 1.0 CG D:HIS264 4.1 37.3 1.0 C3 D:AKG1300 4.2 54.7 1.0 O4 D:C261301 4.3 66.2 0.6 ND1 D:HIS108 4.3 42.4 1.0 CG D:HIS108 4.3 38.8 1.0 CB D:ASP110 4.3 45.1 1.0 C2 D:C261301 4.5 66.2 0.6 O1 D:C261301 4.5 67.2 0.6 C3 D:C261301 4.6 65.9 0.6 C7 D:C261301 4.7 63.7 0.6 CA D:ASP110 4.7 44.8 1.0 CZ D:ARG279 4.8 79.0 1.0 S1 D:C261301 4.8 66.0 0.6 C4 D:AKG1300 4.8 55.4 1.0 CZ2 D:TRP257 4.8 43.3 1.0 O2 D:C261301 4.9 64.0 0.6 N D:ASP110 5.0 42.3 1.0

I.Mueller, A.Kahnert, T.Pape, G.M.Sheldrick, W.Meyer-Klaucke, T.Dierks, M.A.Kertesz, I.Uson. Crystal Structure of the Alkylsulfatase Atsk: Insights Into the Catalytic Mechanism of the Fe(II) Alpha-Ketoglutarate-Dependent Dioxygenase Superfamily Biochemistry V. 42 3075 2004.
ISSN: ISSN 0006-2960
PubMed: 15023059
DOI: 10.1021/BI035752V