Manganese 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:

Iron

(Fe)

2 atoms

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

Manganese 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 Manganese with other atoms in the Mn binding site number 1 of Sweet Potato Purple Acid Phosphatase/Phosphate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn430 b:40.8 occ:1.00 OD1 A:ASN200 2.1 37.7 1.0 ND1 A:HIS322 2.1 34.9 1.0 NE2 A:HIS285 2.2 32.5 1.0 OD2 A:ASP163 2.2 42.7 1.0 O3 A:PO4431 2.5 53.6 1.0 O2 A:PO4431 2.7 53.2 1.0 CE1 A:HIS322 2.9 34.0 1.0 CD2 A:HIS285 3.1 31.2 1.0 CG A:ASN200 3.1 34.4 1.0 CE1 A:HIS285 3.1 29.9 1.0 P A:PO4431 3.2 51.9 1.0 CG A:ASP163 3.2 42.7 1.0 FE A:FE429 3.2 63.1 1.0 CG A:HIS322 3.3 34.5 1.0 OD1 A:ASP163 3.5 41.8 1.0 ND2 A:ASN200 3.5 32.8 1.0 CA A:HIS322 3.6 34.4 1.0 OD2 A:ASP134 3.8 38.7 1.0 CB A:HIS322 3.8 34.7 1.0 O1 A:PO4431 4.0 51.2 1.0 NE2 A:HIS322 4.1 33.9 1.0 CD2 A:HIS201 4.2 40.3 1.0 O A:HIS322 4.2 33.9 1.0 ND1 A:HIS285 4.3 30.9 1.0 CG A:HIS285 4.3 30.8 1.0 CD2 A:HIS322 4.3 34.1 1.0 O4 A:PO4431 4.3 53.2 1.0 C A:HIS322 4.4 35.0 1.0 N A:HIS322 4.4 33.0 1.0 N A:ASN200 4.4 32.4 1.0 CB A:ASN200 4.5 33.0 1.0 CB A:ASP163 4.5 40.5 1.0 OH A:TYR252 4.7 34.5 1.0 OH A:TYR166 4.8 42.3 1.0 NE2 A:HIS201 4.9 40.0 1.0 CA A:ASN200 5.0 33.0 1.0 CG A:ASP134 5.0 37.2 1.0

Manganese 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 Manganese with other atoms in the Mn binding site number 2 of Sweet Potato Purple Acid Phosphatase/Phosphate Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn930 b:36.6 occ:1.00 O2 B:PO4931 2.0 41.0 1.0 ND1 B:HIS822 2.1 34.1 1.0 OD1 B:ASN700 2.1 36.7 1.0 NE2 B:HIS785 2.1 29.0 1.0 OD2 B:ASP663 2.3 35.7 1.0 CE1 B:HIS822 2.8 33.4 1.0 CD2 B:HIS785 3.0 27.9 1.0 P B:PO4931 3.1 40.3 1.0 CG B:ASN700 3.1 35.3 1.0 CE1 B:HIS785 3.1 27.7 1.0 O3 B:PO4931 3.2 42.4 1.0 CG B:HIS822 3.2 32.8 1.0 CG B:ASP663 3.2 37.5 1.0 FE B:FE929 3.3 50.9 1.0 OD1 B:ASP663 3.5 37.8 1.0 CA B:HIS822 3.5 30.6 1.0 ND2 B:ASN700 3.5 34.7 1.0 O1 B:PO4931 3.6 40.6 1.0 CB B:HIS822 3.8 31.8 1.0 OD2 B:ASP634 3.9 30.3 1.0 NE2 B:HIS822 4.0 33.3 1.0 O B:HIS822 4.2 32.8 1.0 CG B:HIS785 4.2 28.1 1.0 ND1 B:HIS785 4.2 27.4 1.0 CD2 B:HIS822 4.2 33.1 1.0 CD2 B:HIS701 4.3 38.0 1.0 O4 B:PO4931 4.3 44.9 1.0 N B:ASN700 4.4 31.6 1.0 N B:HIS822 4.4 28.6 1.0 C B:HIS822 4.4 31.9 1.0 CB B:ASN700 4.5 32.7 1.0 OH B:TYR752 4.6 32.9 1.0 CB B:ASP663 4.6 37.7 1.0 OH B:TYR666 4.9 42.7 1.0 CA B:ASN700 5.0 33.5 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