Iron in PDB 1war: Recombinant Human Purple Acid Phosphatase Expressed in Pichia Pastoris

All present enzymatic activity of Recombinant Human Purple Acid Phosphatase Expressed in Pichia Pastoris:
3.1.3.2;

The structure of Recombinant Human Purple Acid Phosphatase Expressed in Pichia Pastoris, PDB code: 1war was solved by A.P.Duff, D.B.Langley, R.Han, B.A.Averill, H.C.Freeman, J.M.Guss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.98 / 2.22
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.538, 80.538, 99.998, 90.00, 90.00, 90.00
R / Rfree (%)	13.8 / 19.8

The binding sites of Iron atom in the Recombinant Human Purple Acid Phosphatase Expressed in Pichia Pastoris (pdb code 1war). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Recombinant Human Purple Acid Phosphatase Expressed in Pichia Pastoris, PDB code: 1war:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Recombinant Human Purple Acid Phosphatase Expressed in Pichia Pastoris


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Recombinant Human Purple Acid Phosphatase Expressed in Pichia Pastoris within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:34.0 occ:1.00 OH A:TYR53 2.0 20.8 1.0 OD1 A:ASP12 2.1 22.0 1.0 O A:HOH2008 2.1 25.3 1.0 O4 A:PO4411 2.1 39.8 1.0 NE2 A:HIS221 2.2 24.5 1.0 OD2 A:ASP50 2.2 18.9 1.0 HB3 A:ASP12 3.0 20.0 1.0 CG A:ASP12 3.1 19.4 1.0 CE1 A:HIS221 3.1 27.1 1.0 CZ A:TYR53 3.2 25.4 1.0 HE1 A:HIS221 3.2 26.8 1.0 CG A:ASP50 3.2 15.4 1.0 FE A:FE402 3.2 30.5 1.0 P A:PO4411 3.2 40.7 1.0 HE1 A:TYR53 3.2 26.4 1.0 CD2 A:HIS221 3.3 27.9 1.0 HB2 A:ASP50 3.4 17.0 1.0 HB3 A:ASP50 3.4 17.0 1.0 HD2 A:HIS221 3.5 27.3 1.0 O3 A:PO4411 3.5 35.4 1.0 CB A:ASP12 3.6 20.0 1.0 CB A:ASP50 3.6 17.3 1.0 HA A:HIS219 3.6 16.5 1.0 CE1 A:TYR53 3.6 26.7 1.0 HE1 A:HIS184 3.7 17.7 1.0 O2 A:PO4411 3.7 41.5 1.0 HD2 A:HIS90 3.8 18.7 1.0 O A:HIS219 4.0 22.4 1.0 HA A:ASP12 4.1 21.0 1.0 OD2 A:ASP12 4.1 21.6 1.0 ND1 A:HIS221 4.3 23.6 1.0 CE1 A:HIS184 4.3 18.9 1.0 HB2 A:ASP12 4.3 20.0 1.0 CE2 A:TYR53 4.3 26.7 1.0 NE2 A:HIS184 4.3 13.5 1.0 OD1 A:ASP50 4.3 19.6 1.0 CG A:HIS221 4.4 23.5 1.0 CA A:HIS219 4.4 16.1 1.0 CA A:ASP12 4.5 21.1 1.0 HE2 A:TYR53 4.5 26.3 1.0 O1 A:PO4411 4.5 43.9 1.0 CD2 A:HIS90 4.5 18.1 1.0 H A:HIS219 4.5 18.4 1.0 C A:HIS219 4.6 19.6 1.0 HD2 A:PHE242 4.7 35.8 1.0 ND1 A:HIS219 4.8 21.8 1.0 CD1 A:TYR53 5.0 30.4 1.0 N A:HIS219 5.0 19.5 1.0

Iron binding site 2 out of 2 in the Recombinant Human Purple Acid Phosphatase Expressed in Pichia Pastoris


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Recombinant Human Purple Acid Phosphatase Expressed in Pichia Pastoris within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:30.5 occ:1.00 O A:HOH2008 1.7 25.3 1.0 OD1 A:ASN89 2.1 18.0 1.0 O3 A:PO4411 2.2 35.4 1.0 OD2 A:ASP50 2.2 18.9 1.0 NE2 A:HIS184 2.2 13.5 1.0 ND1 A:HIS219 2.2 21.8 1.0 HA A:HIS219 2.9 16.5 1.0 CE1 A:HIS219 2.9 27.9 1.0 HE1 A:HIS219 3.0 27.0 1.0 CG A:ASN89 3.0 16.3 1.0 CE1 A:HIS184 3.1 18.9 1.0 CG A:ASP50 3.1 15.4 1.0 CD2 A:HIS184 3.2 12.7 1.0 FE A:FE401 3.2 34.0 1.0 HE1 A:HIS184 3.3 17.7 1.0 P A:PO4411 3.3 40.7 1.0 ND2 A:ASN89 3.3 17.6 1.0 HD2 A:HIS184 3.4 12.7 1.0 CG A:HIS219 3.4 16.6 1.0 OD1 A:ASP50 3.5 19.6 1.0 O4 A:PO4411 3.5 39.8 1.0 HD2 A:HIS90 3.5 18.7 1.0 H A:ASN89 3.7 18.4 1.0 CA A:HIS219 3.7 16.1 1.0 OD1 A:ASP12 3.8 22.0 1.0 O2 A:PO4411 3.8 41.5 1.0 HB2 A:HIS219 3.9 14.0 1.0 CB A:HIS219 3.9 13.8 1.0 O A:HIS219 4.1 22.4 1.0 NE2 A:HIS219 4.2 21.1 1.0 ND1 A:HIS184 4.3 15.2 1.0 CG A:HIS184 4.3 15.7 1.0 HE1 A:TYR185 4.4 19.5 1.0 CD2 A:HIS90 4.4 18.1 1.0 HB2 A:ASP50 4.4 17.0 1.0 CD2 A:HIS219 4.4 16.3 1.0 CB A:ASP50 4.4 17.3 1.0 CB A:ASN89 4.4 17.6 1.0 H A:HIS90 4.4 19.3 1.0 N A:ASN89 4.4 18.9 1.0 C A:HIS219 4.4 19.6 1.0 O1 A:PO4411 4.5 43.9 1.0 H A:HIS219 4.6 18.4 1.0 HB3 A:ASN89 4.7 17.4 1.0 HA3 A:GLY88 4.7 19.7 1.0 N A:HIS219 4.8 19.5 1.0 HD1 A:TYR185 4.8 17.6 1.0 HB3 A:HIS219 4.8 14.0 1.0 HB3 A:ASP50 4.8 17.0 1.0 OH A:TYR53 4.9 20.8 1.0 HE1 A:TYR53 4.9 26.4 1.0 NE2 A:HIS221 5.0 24.5 1.0 CA A:ASN89 5.0 18.2 1.0

N.Strater, B.Jasper, M.Scholte, B.Krebs, A.P.Duff, D.B.Langley, R.Han, B.A.Averill, H.C.Freeman, J.M.Guss. Crystal Structures of Recombinant Human Purple Acid Phosphatase with and Without An Inhibitory Conformation of the Repression Loop. J.Mol.Biol. V. 351 233 2005.
ISSN: ISSN 0022-2836
PubMed: 15993892
DOI: 10.1016/J.JMB.2005.04.014