Iron in PDB 4hsj: 1.88 Angstrom X-Ray Crystal Structure of Piconlinic-Bound 3- Hydroxyanthranilate-3,4-Dioxygenase

All present enzymatic activity of 1.88 Angstrom X-Ray Crystal Structure of Piconlinic-Bound 3- Hydroxyanthranilate-3,4-Dioxygenase:
1.13.11.6;

The structure of 1.88 Angstrom X-Ray Crystal Structure of Piconlinic-Bound 3- Hydroxyanthranilate-3,4-Dioxygenase, PDB code: 4hsj was solved by F.Liu, L.Chen, C.I.Davis, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.67 / 1.88
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.585, 58.585, 230.974, 90.00, 90.00, 120.00
R / Rfree (%)	20.6 / 25.2

The binding sites of Iron atom in the 1.88 Angstrom X-Ray Crystal Structure of Piconlinic-Bound 3- Hydroxyanthranilate-3,4-Dioxygenase (pdb code 4hsj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the 1.88 Angstrom X-Ray Crystal Structure of Piconlinic-Bound 3- Hydroxyanthranilate-3,4-Dioxygenase, PDB code: 4hsj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the 1.88 Angstrom X-Ray Crystal Structure of Piconlinic-Bound 3- Hydroxyanthranilate-3,4-Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.88 Angstrom X-Ray Crystal Structure of Piconlinic-Bound 3- Hydroxyanthranilate-3,4-Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:18.6 occ:1.00 OE2 A:GLU57 2.1 19.7 1.0 ND1 A:HIS51 2.1 22.1 1.0 NE2 A:HIS95 2.1 21.6 1.0 C1 A:6PC203 2.3 36.2 1.0 N2 A:6PC203 2.4 33.9 1.0 OE1 A:GLU57 2.6 20.7 1.0 CD A:GLU57 2.7 21.6 1.0 O1 A:6PC203 2.8 40.3 1.0 C6 A:6PC203 2.9 37.8 1.0 C3 A:6PC203 2.9 33.2 1.0 C2 A:6PC203 3.0 38.2 1.0 CE1 A:HIS51 3.0 22.1 1.0 CE1 A:HIS95 3.0 18.8 1.0 CD2 A:HIS95 3.1 20.2 1.0 CG A:HIS51 3.1 23.4 1.0 C4 A:6PC203 3.4 36.2 1.0 C5 A:6PC203 3.4 32.6 1.0 CB A:HIS51 3.5 20.3 1.0 NE2 A:HIS51 4.2 20.6 1.0 ND1 A:HIS95 4.2 17.5 1.0 O2 A:6PC203 4.2 46.2 1.0 CG A:GLU57 4.2 20.8 1.0 CD2 A:HIS51 4.2 19.7 1.0 CG A:HIS95 4.3 17.7 1.0 OE1 A:GLU110 4.3 35.2 1.0 OD2 A:ASP53 4.3 16.3 1.0 CB A:ASP53 4.5 21.1 1.0 CG A:ASP53 4.9 19.8 1.0 CA A:HIS51 5.0 19.4 1.0

Iron binding site 2 out of 2 in the 1.88 Angstrom X-Ray Crystal Structure of Piconlinic-Bound 3- Hydroxyanthranilate-3,4-Dioxygenase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 1.88 Angstrom X-Ray Crystal Structure of Piconlinic-Bound 3- Hydroxyanthranilate-3,4-Dioxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:31.9 occ:1.00 SG A:CYS128 2.2 40.6 1.0 SG A:CYS125 2.3 34.9 1.0 SG A:CYS162 2.3 34.2 1.0 SG A:CYS165 2.4 37.2 1.0 CB A:CYS125 3.1 32.6 1.0 CB A:CYS162 3.2 29.6 1.0 CB A:CYS128 3.4 42.7 1.0 CB A:CYS165 3.4 42.0 1.0 N A:CYS128 3.9 34.8 1.0 N A:CYS165 3.9 39.0 1.0 CA A:CYS128 4.2 37.5 1.0 CA A:CYS165 4.2 39.2 1.0 CA A:CYS125 4.6 27.3 1.0 CA A:CYS162 4.6 30.9 1.0 CB A:HIS164 4.6 42.6 1.0 O A:HOH317 4.7 32.3 1.0 CB A:GLN167 4.7 35.9 1.0 CB A:ALA127 4.8 41.9 1.0 C A:CYS165 4.8 37.4 1.0 C A:CYS128 4.8 39.2 1.0 CB A:HIS130 4.8 38.8 1.0 N A:GLY166 4.8 35.9 1.0 N A:GLY129 4.8 38.5 1.0 C A:HIS164 4.9 43.6 1.0 N A:HIS130 4.9 36.1 1.0 C A:ALA127 5.0 41.8 1.0 N A:GLN167 5.0 34.2 1.0

F.Liu, J.Geng, R.H.Gumpper, A.Barman, I.Davis, A.Ozarowski, D.Hamelberg, A.Liu. An Iron Reservoir to the Catalytic Metal: the Rubredoxin Iron in An Extradiol Dioxygenase J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X