Iron in PDB 1ute: Pig Purple Acid Phosphatase Complexed with Phosphate

All present enzymatic activity of Pig Purple Acid Phosphatase Complexed with Phosphate:
3.1.3.2;

The structure of Pig Purple Acid Phosphatase Complexed with Phosphate, PDB code: 1ute was solved by L.W.Guddat, A.Mcalpine, D.Hume, S.Hamilton, J.De Jersey, J.L.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.610, 70.010, 77.110, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 25.7

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

Iron binding site 1 out of 2 in the Pig Purple Acid Phosphatase Complexed with Phosphate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Pig Purple Acid Phosphatase Complexed with Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:17.4 occ:1.00 FE1 A:FEO501 0.0 17.4 1.0 OH A:TYR55 2.0 13.2 1.0 O A:FEO501 2.0 26.1 1.0 OD2 A:ASP14 2.1 12.4 1.0 O3 A:PO4503 2.3 18.8 0.8 OD2 A:ASP52 2.3 10.3 1.0 NE2 A:HIS223 2.3 14.4 1.0 CG A:ASP14 3.1 14.4 1.0 CZ A:TYR55 3.1 17.3 1.0 CE1 A:HIS223 3.3 13.2 1.0 CG A:ASP52 3.3 12.0 1.0 CD2 A:HIS223 3.3 14.1 1.0 FE2 A:FEO501 3.3 16.1 1.0 P A:PO4503 3.4 18.3 0.8 CB A:ASP14 3.5 11.2 1.0 CE1 A:TYR55 3.5 16.1 1.0 CB A:ASP52 3.6 12.2 1.0 O4 A:PO4503 3.8 16.0 0.8 O1 A:PO4503 3.8 16.9 0.8 O A:HIS221 4.0 13.5 1.0 OD1 A:ASP14 4.2 14.6 1.0 CE1 A:HIS186 4.3 12.8 1.0 CE2 A:TYR55 4.3 15.9 1.0 NE2 A:HIS186 4.4 10.3 1.0 ND1 A:HIS223 4.4 13.4 1.0 OD1 A:ASP52 4.4 10.1 1.0 CA A:ASP14 4.4 11.3 1.0 CG A:HIS223 4.5 13.4 1.0 CD2 A:HIS92 4.5 9.1 1.0 CA A:HIS221 4.5 11.3 1.0 O A:HOH633 4.5 28.5 1.0 C A:HIS221 4.6 12.4 1.0 O2 A:PO4503 4.6 18.0 0.8 CD1 A:TYR55 4.9 12.7 1.0 NE2 A:HIS92 5.0 10.1 1.0 N A:HIS221 5.0 12.1 1.0

Iron binding site 2 out of 2 in the Pig Purple Acid Phosphatase Complexed with Phosphate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Pig Purple Acid Phosphatase Complexed with Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:16.1 occ:1.00 FE2 A:FEO501 0.0 16.1 1.0 O A:FEO501 2.1 26.1 1.0 NE2 A:HIS186 2.2 10.3 1.0 OD1 A:ASN91 2.2 12.0 1.0 ND1 A:HIS221 2.4 13.4 1.0 OD2 A:ASP52 2.4 10.3 1.0 O4 A:PO4503 2.5 16.0 0.8 CE1 A:HIS221 3.1 10.8 1.0 CE1 A:HIS186 3.2 12.8 1.0 CG A:ASN91 3.2 14.7 1.0 CD2 A:HIS186 3.2 13.3 1.0 CG A:ASP52 3.3 12.0 1.0 FE1 A:FEO501 3.3 17.4 1.0 P A:PO4503 3.5 18.3 0.8 ND2 A:ASN91 3.5 13.1 1.0 CG A:HIS221 3.5 11.4 1.0 O3 A:PO4503 3.5 18.8 0.8 OD1 A:ASP52 3.7 10.1 1.0 CA A:HIS221 3.7 11.3 1.0 OD2 A:ASP14 3.8 12.4 1.0 CB A:HIS221 4.0 13.2 1.0 O1 A:PO4503 4.1 16.9 0.8 O A:HIS221 4.1 13.5 1.0 NE2 A:HIS221 4.3 11.0 1.0 ND1 A:HIS186 4.3 12.7 1.0 CG A:HIS186 4.4 13.3 1.0 CD2 A:HIS92 4.4 9.1 1.0 C A:HIS221 4.4 12.4 1.0 N A:ASN91 4.5 11.3 1.0 CD2 A:HIS221 4.5 10.5 1.0 CB A:ASP52 4.5 12.2 1.0 CB A:ASN91 4.6 10.2 1.0 N A:HIS221 4.7 12.1 1.0 O2 A:PO4503 4.7 18.0 0.8 NE2 A:HIS92 4.9 10.1 1.0 OH A:TYR55 5.0 13.2 1.0

L.W.Guddat, A.S.Mcalpine, D.Hume, S.Hamilton, J.De Jersey, J.L.Martin. Crystal Structure of Mammalian Purple Acid Phosphatase. Structure Fold.Des. V. 7 757 1999.
ISSN: ISSN 0969-2126
PubMed: 10425678
DOI: 10.1016/S0969-2126(99)80100-2