Iron in PDB 4hvr: X-Ray Crystal Structure of Salicylic Acid Bound 3-Hydroxyanthranilate- 3,4-Dioxygenase From Cupriavidus Metallidurans

All present enzymatic activity of X-Ray Crystal Structure of Salicylic Acid Bound 3-Hydroxyanthranilate- 3,4-Dioxygenase From Cupriavidus Metallidurans:
1.13.11.6;

The structure of X-Ray Crystal Structure of Salicylic Acid Bound 3-Hydroxyanthranilate- 3,4-Dioxygenase From Cupriavidus Metallidurans, PDB code: 4hvr was solved by F.Liu, L.Chen, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 2.70
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.561, 58.561, 230.990, 90.00, 90.00, 120.00
R / Rfree (%)	21.5 / 33.4

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

Iron binding site 1 out of 2 in the X-Ray Crystal Structure of Salicylic Acid Bound 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 X-Ray Crystal Structure of Salicylic Acid Bound 3-Hydroxyanthranilate- 3,4-Dioxygenase From Cupriavidus Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:61.5 occ:1.00 NE2 A:HIS95 2.1 55.8 1.0 O2 A:SAL203 2.1 96.6 1.0 ND1 A:HIS51 2.2 54.1 1.0 OE1 A:GLU57 2.3 77.9 1.0 OE2 A:GLU57 2.5 67.2 1.0 O1' A:SAL203 2.6 0.9 1.0 C1' A:SAL203 2.7 0.7 1.0 C2 A:SAL203 2.7 0.6 1.0 CD A:GLU57 2.7 70.1 1.0 C1 A:SAL203 3.0 0.2 1.0 CD2 A:HIS95 3.0 50.9 1.0 CG A:HIS51 3.1 55.0 1.0 CE1 A:HIS95 3.1 52.0 1.0 CE1 A:HIS51 3.2 51.3 1.0 CB A:HIS51 3.3 56.2 1.0 O2' A:SAL203 3.3 0.0 1.0 C3 A:SAL203 3.9 0.2 1.0 CG A:HIS95 4.2 56.2 1.0 ND1 A:HIS95 4.2 54.8 1.0 CG A:GLU57 4.2 66.7 1.0 C6 A:SAL203 4.3 0.0 1.0 OD2 A:ASP53 4.3 56.3 1.0 CD2 A:HIS51 4.3 53.7 1.0 NE2 A:HIS51 4.3 53.8 1.0 CA A:HIS51 4.8 58.2 1.0 CB A:ASP53 4.8 58.0 1.0 CG A:ASP53 5.0 59.7 1.0

Iron binding site 2 out of 2 in the X-Ray Crystal Structure of Salicylic Acid Bound 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 X-Ray Crystal Structure of Salicylic Acid Bound 3-Hydroxyanthranilate- 3,4-Dioxygenase From Cupriavidus Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:78.3 occ:1.00 SG A:CYS128 2.2 80.9 1.0 SG A:CYS125 2.4 82.7 1.0 SG A:CYS162 2.4 75.6 1.0 CB A:CYS128 2.7 85.4 1.0 SG A:CYS165 2.7 0.9 1.0 CB A:CYS125 2.9 95.1 1.0 O A:HOH304 2.9 90.9 1.0 CB A:CYS162 3.2 68.8 1.0 N A:CYS128 3.4 79.1 1.0 CA A:CYS128 3.5 79.7 1.0 N A:CYS165 3.5 0.7 1.0 CB A:CYS165 3.5 1.0 1.0 CA A:CYS165 3.9 0.3 1.0 C A:CYS128 4.1 91.5 1.0 N A:GLY129 4.3 98.5 1.0 CA A:CYS125 4.4 87.8 1.0 C A:CYS165 4.4 0.3 1.0 CB A:HIS164 4.5 0.4 1.0 C A:HIS164 4.6 1.0 1.0 N A:HIS130 4.6 88.4 1.0 C A:ALA127 4.7 87.1 1.0 N A:GLY166 4.7 0.6 1.0 CA A:CYS162 4.7 74.5 1.0 CB A:HIS130 4.8 0.2 1.0 CB A:GLN167 4.8 90.5 1.0 CG A:GLN167 4.8 97.4 1.0 N A:GLN167 4.9 91.5 1.0 O A:CYS128 4.9 0.7 1.0 CA A:HIS164 4.9 0.6 1.0 O A:CYS165 5.0 0.0 1.0 N A:HIS164 5.0 0.6 1.0

F.Liu, L.Chen, A.Liu. X-Ray Crystal Structure of Salicylic Acid Bound 3-Hydroxyanthranilate-3,4-Dioxygenase From Cupriavidus Metallidurans To Be Published.