Iron in PDB 5tk5: Crystal Structure of Human 3HAO with Iron Bound in the Active Site

All present enzymatic activity of Crystal Structure of Human 3HAO with Iron Bound in the Active Site:
1.13.11.6;

The structure of Crystal Structure of Human 3HAO with Iron Bound in the Active Site, PDB code: 5tk5 was solved by L.S.Pidugu, E.A.Toth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.00 / 1.88
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.076, 57.076, 415.871, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 21.8

The binding sites of Iron atom in the Crystal Structure of Human 3HAO with Iron Bound in the Active Site (pdb code 5tk5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Human 3HAO with Iron Bound in the Active Site, PDB code: 5tk5:

Iron binding site 1 out of 1 in the Crystal Structure of Human 3HAO with Iron Bound in the Active Site


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 Human 3HAO with Iron Bound in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:14.3 occ:1.00 NE2 A:HIS91 2.0 12.2 1.0 OE2 A:GLU53 2.0 17.1 1.0 O A:HOH448 2.0 19.2 1.0 O A:HOH527 2.1 19.3 1.0 ND1 A:HIS47 2.1 12.7 1.0 OE1 A:GLU53 2.3 11.5 1.0 CD A:GLU53 2.4 14.7 1.0 CE1 A:HIS91 3.0 12.5 1.0 CE1 A:HIS47 3.0 12.7 1.0 CD2 A:HIS91 3.1 11.8 1.0 CG A:HIS47 3.3 12.5 1.0 O A:HOH548 3.7 26.6 1.0 CB A:HIS47 3.7 9.8 1.0 CG A:GLU53 4.0 12.0 1.0 ND1 A:HIS91 4.1 12.8 1.0 CG A:HIS91 4.1 11.0 1.0 OE1 A:GLU105 4.2 28.1 1.0 NE2 A:HIS47 4.2 12.6 1.0 O A:HOH567 4.3 19.3 1.0 CD2 A:HIS47 4.4 12.4 1.0 OE2 A:GLU49 4.5 15.6 1.0 CD2 A:LEU137 4.8 26.3 1.0 CG A:GLU49 5.0 15.1 1.0 CB A:GLU53 5.0 10.5 1.0

L.S.Pidugu, H.Neu, T.L.Wong, E.Pozharski, J.L.Molloy, S.L.Michel, E.A.Toth. Crystal Structures of Human 3-Hydroxyanthranilate 3,4-Dioxygenase with Native and Non-Native Metals Bound in the Active Site. Acta Crystallogr D Struct V. 73 340 2017BIOL.
ISSN: ISSN 2059-7983
PubMed: 28375145
DOI: 10.1107/S2059798317002029