Iron in PDB 4r52: 1.5 Angstrom Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans

All present enzymatic activity of 1.5 Angstrom Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans:
1.13.11.6;

The structure of 1.5 Angstrom Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans, PDB code: 4r52 was solved by J.Geng, R.H.Gumpper, L.Huo, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.35 / 1.53
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.320, 58.320, 231.849, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 21.4

The binding sites of Iron atom in the 1.5 Angstrom Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans (pdb code 4r52). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the 1.5 Angstrom Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans, PDB code: 4r52:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the 1.5 Angstrom Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.5 Angstrom Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:23.0 occ:0.52 O A:HOH325 2.0 31.7 1.0 O A:HOH301 2.1 24.5 1.0 OE2 A:GLU57 2.2 23.2 1.0 NE2 A:HIS95 2.3 19.6 1.0 ND1 A:HIS51 2.3 19.6 1.0 OE1 A:GLU57 2.4 24.8 1.0 CD A:GLU57 2.7 23.7 1.0 CE1 A:HIS51 3.1 19.6 1.0 CE1 A:HIS95 3.2 18.9 1.0 CD2 A:HIS95 3.3 18.7 1.0 CG A:HIS51 3.4 18.6 1.0 O A:HOH381 3.7 34.5 1.0 CB A:HIS51 3.8 19.8 1.0 OE1 A:GLU110 3.9 30.3 1.0 O A:HOH363 3.9 31.4 1.0 CG A:GLU57 4.2 22.3 1.0 NE2 A:HIS51 4.3 19.4 1.0 ND1 A:HIS95 4.3 18.5 1.0 CG A:HIS95 4.4 18.6 1.0 CD2 A:HIS51 4.4 20.3 1.0 OD2 A:ASP53 4.5 20.9 1.0 CD A:GLU110 4.7 27.0 1.0 CB A:ASP53 4.7 21.1 1.0 O A:HOH397 4.9 40.2 1.0

Iron binding site 2 out of 2 in the 1.5 Angstrom Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 1.5 Angstrom Crystal Structure of 3-Hydroxyanthranilate-3,4- Dioxygenase From Cupriavidus Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:29.2 occ:1.00 SG A:CYS165 2.4 32.0 1.0 SG A:CYS162 2.5 30.9 1.0 SG A:CYS128 2.6 36.8 1.0 SG A:CYS125 2.6 30.7 1.0 CB A:CYS125 3.2 29.8 1.0 CB A:CYS162 3.2 29.6 1.0 CB A:CYS165 3.4 38.4 1.0 CB A:CYS128 3.5 37.0 1.0 N A:CYS165 3.7 35.2 1.0 N A:CYS128 3.8 32.1 1.0 CA A:CYS165 4.1 35.8 1.0 CA A:CYS128 4.2 34.3 1.0 CB A:HIS164 4.5 39.6 1.0 CB A:ALA127 4.6 32.4 1.0 CA A:CYS125 4.6 30.1 1.0 CB A:HIS130 4.7 33.4 1.0 CA A:CYS162 4.7 28.3 1.0 CB A:GLN167 4.7 32.5 1.0 C A:CYS165 4.7 36.0 1.0 C A:HIS164 4.7 39.6 1.0 N A:GLY166 4.7 35.3 1.0 C A:CYS128 4.8 36.2 1.0 C A:ALA127 4.8 37.7 1.0 O A:HOH327 4.8 30.4 1.0 N A:GLY129 4.9 33.7 1.0 N A:GLN167 4.9 29.2 1.0 N A:HIS130 5.0 31.5 1.0 CD2 A:HIS164 5.0 41.4 1.0 CA A:HIS164 5.0 36.8 1.0 N A:HIS164 5.0 35.9 1.0

J.Geng, R.H.Gumpper, L.Huo, A.Liu. 1.5 Angstrom Crystal Structure of 3-Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans To Be Published.