Iron in PDB 2z4g: Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8

All present enzymatic activity of Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8:
3.1.3.15;

The structure of Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8, PDB code: 2z4g was solved by R.Omi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.961, 96.786, 74.716, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 26.8

The structure of Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8 (pdb code 2z4g). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8, PDB code: 2z4g:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:29.3 occ:1.00 O A:HOH630 2.1 15.2 1.0 NE2 A:HIS154 2.3 23.8 1.0 OE2 A:GLU80 2.3 22.2 1.0 NE2 A:HIS108 2.3 19.7 1.0 CD2 A:HIS154 3.0 24.4 1.0 O A:HOH631 3.1 21.4 1.0 CD A:GLU80 3.2 19.5 1.0 CE1 A:HIS108 3.2 20.9 1.0 OE1 A:GLU80 3.3 18.1 1.0 CD2 A:HIS108 3.4 22.0 1.0 CE1 A:HIS154 3.4 23.6 1.0 FE A:FE503 3.5 24.9 1.0 OG A:SER106 4.2 18.1 1.0 CE1 A:HIS38 4.2 21.5 1.0 CG A:HIS154 4.3 23.1 1.0 ND1 A:HIS108 4.3 22.9 1.0 OD2 A:ASP224 4.3 21.2 1.0 CB A:SER106 4.4 19.1 1.0 ND1 A:HIS154 4.4 22.9 1.0 O A:HOH552 4.5 28.6 1.0 CG A:HIS108 4.5 20.8 1.0 O A:HOH632 4.5 28.2 1.0 CG A:GLU80 4.6 18.4 1.0 OD2 A:ASP116 4.8 28.4 1.0 CE1 A:HIS5 4.8 22.6 1.0 NE2 A:HIS5 4.9 21.4 1.0 OD1 A:ASP224 5.0 19.6 1.0

Iron binding site 2 out of 4 in the Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:24.9 occ:1.00 O A:HOH630 2.0 15.2 1.0 OE1 A:GLU80 2.2 18.1 1.0 NE2 A:HIS7 2.2 20.7 1.0 OD1 A:ASP224 2.3 19.6 1.0 NE2 A:HIS5 2.3 21.4 1.0 CE1 A:HIS7 3.0 21.3 1.0 CG A:ASP224 3.1 21.4 1.0 CD A:GLU80 3.1 19.5 1.0 CE1 A:HIS5 3.2 22.6 1.0 OD2 A:ASP224 3.3 21.2 1.0 O A:HOH631 3.3 21.4 1.0 CD2 A:HIS7 3.3 18.1 1.0 CD2 A:HIS5 3.3 20.9 1.0 FE A:FE502 3.5 29.3 1.0 OE2 A:GLU80 3.6 22.2 1.0 CE1 A:HIS38 3.9 21.5 1.0 NE2 A:HIS38 4.2 20.3 1.0 ND1 A:HIS7 4.2 19.4 1.0 ND1 A:HIS5 4.4 19.6 1.0 CG A:HIS7 4.4 20.4 1.0 CG A:GLU80 4.4 18.4 1.0 CE1 A:HIS226 4.4 23.1 1.0 CG A:HIS5 4.5 20.0 1.0 CB A:ASP224 4.5 18.1 1.0 ZN A:ZN501 4.6 28.9 1.0 CB A:GLU80 4.7 16.7 1.0 CA A:ASP224 4.7 19.0 1.0 ND1 A:HIS38 4.8 21.2 1.0 NE2 A:HIS226 4.9 22.9 1.0

Iron binding site 3 out of 4 in the Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1502 b:26.0 occ:1.00 NE2 B:HIS108 2.2 19.8 1.0 O B:HOH1648 2.2 19.9 1.0 OE2 B:GLU80 2.3 17.5 1.0 NE2 B:HIS154 2.3 20.5 1.0 CE1 B:HIS108 2.9 20.3 1.0 CD2 B:HIS154 3.2 20.7 1.0 CD B:GLU80 3.2 18.9 1.0 O B:HOH1504 3.2 15.0 1.0 CD2 B:HIS108 3.4 19.1 1.0 CE1 B:HIS154 3.4 22.2 1.0 FE B:FE1503 3.5 25.2 1.0 OE1 B:GLU80 3.5 19.6 1.0 OG B:SER106 4.1 19.7 1.0 ND1 B:HIS108 4.1 17.6 1.0 O B:HOH1537 4.2 27.7 1.0 CB B:SER106 4.3 18.3 1.0 CG B:HIS154 4.4 20.8 1.0 CG B:HIS108 4.4 19.6 1.0 OD2 B:ASP224 4.4 20.7 1.0 ND1 B:HIS154 4.4 19.8 1.0 CE1 B:HIS38 4.4 17.6 1.0 CG B:GLU80 4.5 17.5 1.0 OD2 B:ASP116 4.6 27.6 1.0 O B:HOH1649 4.8 19.3 1.0 CE1 B:HIS5 4.8 23.1 1.0 NE2 B:HIS5 4.9 21.2 1.0 OD1 B:ASP224 4.9 20.6 1.0

Iron binding site 4 out of 4 in the Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1503 b:25.2 occ:1.00 O B:HOH1648 1.9 19.9 1.0 OE1 B:GLU80 2.1 19.6 1.0 OD1 B:ASP224 2.2 20.6 1.0 NE2 B:HIS5 2.3 21.2 1.0 NE2 B:HIS7 2.3 19.3 1.0 CE1 B:HIS7 3.0 19.6 1.0 CG B:ASP224 3.0 19.8 1.0 CD B:GLU80 3.1 18.9 1.0 CE1 B:HIS5 3.1 23.1 1.0 OD2 B:ASP224 3.3 20.7 1.0 CD2 B:HIS5 3.3 23.1 1.0 O B:HOH1504 3.3 15.0 1.0 OE2 B:GLU80 3.4 17.5 1.0 FE B:FE1502 3.5 26.0 1.0 CD2 B:HIS7 3.5 21.1 1.0 CE1 B:HIS38 4.2 17.6 1.0 ND1 B:HIS7 4.2 19.5 1.0 ND1 B:HIS5 4.2 21.8 1.0 CE1 B:HIS226 4.2 18.8 1.0 CG B:HIS5 4.4 23.1 1.0 NE2 B:HIS38 4.4 19.5 1.0 CG B:GLU80 4.4 17.5 1.0 CB B:ASP224 4.4 18.2 1.0 CG B:HIS7 4.5 19.4 1.0 ZN B:ZN1501 4.7 27.2 1.0 CB B:GLU80 4.7 16.7 1.0 NE2 B:HIS226 4.7 20.8 1.0 CA B:ASP224 4.7 17.1 1.0

R.Omi, M.Goto, I.Miyahara, M.Manzoku, A.Ebihara, K.Hirotsu. Crystal Structure of Monofunctional Histidinol Phosphate Phosphatase From Thermus Thermophilus HB8. Biochemistry V. 46 12618 2007.
ISSN: ISSN 0006-2960
PubMed: 17929834
DOI: 10.1021/BI701204R