Iron in PDB 1xzw: Sweet Potato Purple Acid Phosphatase/Phosphate Complex

All present enzymatic activity of Sweet Potato Purple Acid Phosphatase/Phosphate Complex:
3.1.3.2;

The structure of Sweet Potato Purple Acid Phosphatase/Phosphate Complex, PDB code: 1xzw was solved by G.Schenk, L.E.Carrington, L.R.Gahan, S.E.Hamilton, J.De Jersey, L.W.Guddat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	95.10 / 2.50
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	116.150, 116.150, 291.950, 90.00, 90.00, 120.00
R / Rfree (%)	23.8 / 26.4

The structure of Sweet Potato Purple Acid Phosphatase/Phosphate Complex also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Iron atom in the Sweet Potato Purple Acid Phosphatase/Phosphate Complex (pdb code 1xzw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Sweet Potato Purple Acid Phosphatase/Phosphate Complex, PDB code: 1xzw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Sweet Potato Purple Acid Phosphatase/Phosphate Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sweet Potato Purple Acid Phosphatase/Phosphate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe429 b:63.1 occ:1.00 OH A:TYR166 1.9 42.3 1.0 O3 A:PO4431 2.2 53.6 1.0 OD2 A:ASP163 2.2 42.7 1.0 OD2 A:ASP134 2.4 38.7 1.0 O1 A:PO4431 2.6 51.2 1.0 NE2 A:HIS324 2.7 41.2 1.0 P A:PO4431 2.9 51.9 1.0 CZ A:TYR166 3.0 42.5 1.0 MN A:MN430 3.2 40.8 1.0 CG A:ASP163 3.3 42.7 1.0 CG A:ASP134 3.3 37.2 1.0 CE2 A:TYR166 3.5 40.8 1.0 CD2 A:HIS324 3.5 39.6 1.0 CB A:ASP134 3.6 36.4 1.0 CB A:ASP163 3.6 40.5 1.0 O2 A:PO4431 3.7 53.2 1.0 CE1 A:HIS324 3.8 39.8 1.0 CD2 A:HIS201 3.9 40.3 1.0 O A:HIS322 4.0 33.9 1.0 ND2 A:ASN363 4.0 38.9 1.0 O4 A:PO4431 4.1 53.2 1.0 CE1 A:TYR166 4.2 41.1 1.0 NE2 A:HIS201 4.3 40.0 1.0 CA A:HIS322 4.4 34.4 1.0 OD1 A:ASP163 4.4 41.8 1.0 NE2 A:HIS285 4.4 32.5 1.0 CE1 A:HIS285 4.5 29.9 1.0 OD1 A:ASP134 4.5 38.9 1.0 C A:HIS322 4.5 35.0 1.0 CA A:ASP134 4.6 37.0 1.0 CG A:ASN363 4.7 40.2 1.0 CG A:HIS324 4.7 40.9 1.0 N A:HIS322 4.8 33.0 1.0 ND1 A:HIS324 4.8 40.7 1.0 CD2 A:TYR166 4.8 41.5 1.0 ND1 A:HIS322 4.8 34.9 1.0 OD1 A:ASN363 4.9 42.1 1.0 CG A:HIS201 5.0 39.5 1.0

Iron binding site 2 out of 2 in the Sweet Potato Purple Acid Phosphatase/Phosphate Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Sweet Potato Purple Acid Phosphatase/Phosphate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe929 b:50.9 occ:1.00 O1 B:PO4931 1.8 40.6 1.0 OH B:TYR666 1.9 42.7 1.0 OD2 B:ASP663 2.2 35.7 1.0 OD2 B:ASP634 2.3 30.3 1.0 P B:PO4931 2.7 40.3 1.0 NE2 B:HIS824 2.7 38.5 1.0 O3 B:PO4931 2.8 42.4 1.0 CZ B:TYR666 3.1 42.9 1.0 O2 B:PO4931 3.2 41.0 1.0 CG B:ASP663 3.3 37.5 1.0 MN B:MN930 3.3 36.6 1.0 CG B:ASP634 3.3 32.8 1.0 CD2 B:HIS824 3.5 38.3 1.0 CE2 B:TYR666 3.6 40.6 1.0 CB B:ASP634 3.6 31.9 1.0 CB B:ASP663 3.7 37.7 1.0 CE1 B:HIS824 3.8 38.0 1.0 O B:HIS822 3.9 32.8 1.0 CD2 B:HIS701 3.9 38.0 1.0 O4 B:PO4931 4.0 44.9 1.0 ND2 B:ASN863 4.1 37.5 1.0 CE1 B:TYR666 4.2 43.4 1.0 CA B:HIS822 4.3 30.6 1.0 NE2 B:HIS785 4.3 29.0 1.0 OD1 B:ASP663 4.4 37.8 1.0 NE2 B:HIS701 4.4 38.4 1.0 CE1 B:HIS785 4.4 27.7 1.0 OD1 B:ASP634 4.5 35.9 1.0 C B:HIS822 4.5 31.9 1.0 CA B:ASP634 4.6 33.0 1.0 CG B:HIS824 4.7 38.7 1.0 N B:HIS822 4.7 28.6 1.0 ND1 B:HIS822 4.7 34.1 1.0 CG B:ASN863 4.8 36.7 1.0 ND1 B:HIS824 4.8 38.3 1.0 CD2 B:TYR666 4.9 40.6 1.0 OD1 B:ASN700 5.0 36.7 1.0

G.Schenk, L.R.Gahan, L.E.Carrington, N.Mitic, M.Valizadeh, S.E.Hamilton, J.De Jersey, L.W.Guddat. Phosphate Forms An Unusual Tripodal Complex with the Fe-Mn Center of Sweet Potato Purple Acid Phosphatase Proc.Natl.Acad.Sci.Usa V. 102 273 2005.
ISSN: ISSN 0027-8424
PubMed: 15625111
DOI: 10.1073/PNAS.0407239102