Iron in PDB 1qhw: Purple Acid Phosphatase From Rat Bone

All present enzymatic activity of Purple Acid Phosphatase From Rat Bone:
3.1.3.2;

The structure of Purple Acid Phosphatase From Rat Bone, PDB code: 1qhw was solved by Y.Lindqvist, E.Johansson, H.Kaija, P.Vihko, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.980, 88.120, 57.070, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 26.5

The structure of Purple Acid Phosphatase From Rat Bone also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iron atom in the Purple Acid Phosphatase From Rat Bone (pdb code 1qhw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Purple Acid Phosphatase From Rat Bone, PDB code: 1qhw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Purple Acid Phosphatase From Rat Bone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Purple Acid Phosphatase From Rat Bone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe433 b:22.6 occ:1.00 OH A:TYR76 2.0 22.3 1.0 O A:HOH588 2.0 22.8 0.5 OD2 A:ASP35 2.0 23.4 1.0 O A:HOH591 2.1 18.1 0.5 OD2 A:ASP73 2.3 24.2 1.0 NE2 A:HIS244 2.3 27.7 1.0 CG A:ASP35 3.0 22.5 1.0 CZ A:TYR76 3.1 24.4 1.0 CE1 A:HIS244 3.3 27.0 1.0 CG A:ASP73 3.3 23.5 1.0 CD2 A:HIS244 3.3 26.2 1.0 CB A:ASP35 3.4 21.6 1.0 CE1 A:TYR76 3.5 24.0 1.0 FE A:FE434 3.5 23.3 1.0 O3 A:SO4437 3.6 62.0 1.0 CB A:ASP73 3.7 21.6 1.0 O1 A:SO4437 3.8 61.6 1.0 O A:HIS242 4.0 22.2 1.0 OD1 A:ASP35 4.2 22.1 1.0 CA A:ASP35 4.3 20.8 1.0 CE2 A:TYR76 4.3 23.1 1.0 CE1 A:HIS207 4.3 17.3 1.0 S A:SO4437 4.3 61.2 1.0 OD1 A:ASP73 4.4 21.0 1.0 ND1 A:HIS244 4.4 28.4 1.0 NE2 A:HIS207 4.4 18.6 1.0 CG A:HIS244 4.5 26.8 1.0 CA A:HIS242 4.5 20.4 1.0 C A:HIS242 4.6 22.2 1.0 CD2 A:HIS113 4.8 23.8 1.0 CD1 A:TYR76 4.9 23.9 1.0

Iron binding site 2 out of 2 in the Purple Acid Phosphatase From Rat Bone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Purple Acid Phosphatase From Rat Bone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe434 b:23.3 occ:1.00 NE2 A:HIS207 2.0 18.6 1.0 O A:HOH588 2.1 22.8 0.5 OD1 A:ASN112 2.2 23.2 1.0 ND1 A:HIS242 2.3 23.0 1.0 OD2 A:ASP73 2.4 24.2 1.0 O3 A:SO4437 2.6 62.0 1.0 CE1 A:HIS207 3.0 17.3 1.0 CD2 A:HIS207 3.0 20.0 1.0 CE1 A:HIS242 3.1 21.9 1.0 CG A:ASN112 3.2 20.5 1.0 CG A:ASP73 3.3 23.5 1.0 CG A:HIS242 3.5 22.3 1.0 FE A:FE433 3.5 22.6 1.0 OD1 A:ASP73 3.5 21.0 1.0 ND2 A:ASN112 3.6 22.9 1.0 CA A:HIS242 3.7 20.4 1.0 OD2 A:ASP35 3.8 23.4 1.0 S A:SO4437 3.9 61.2 1.0 CB A:HIS242 3.9 21.1 1.0 ND1 A:HIS207 4.1 19.2 1.0 CG A:HIS207 4.1 19.7 1.0 O4 A:SO4437 4.2 62.3 1.0 O A:HIS242 4.2 22.2 1.0 NE2 A:HIS242 4.3 21.4 1.0 O A:HOH591 4.4 18.1 0.5 O1 A:SO4437 4.4 61.6 1.0 N A:ASN112 4.5 22.0 1.0 CD2 A:HIS242 4.5 21.1 1.0 C A:HIS242 4.5 22.2 1.0 CB A:ASN112 4.5 22.5 1.0 CB A:ASP73 4.6 21.6 1.0 N A:HIS242 4.7 20.1 1.0 CD2 A:HIS113 4.7 23.8 1.0

Y.Lindqvist, E.Johansson, H.Kaija, P.Vihko, G.Schneider. Three-Dimensional Structure of A Mammalian Purple Acid Phosphatase at 2.2 A Resolution with A Mu-(Hydr)Oxo Bridged Di-Iron Center. J.Mol.Biol. V. 291 135 1999.
ISSN: ISSN 0022-2836
PubMed: 10438611
DOI: 10.1006/JMBI.1999.2962