Iron in PDB 2bq8: Crystal Structure of Human Purple Acid Phosphatase with An Inhibitory Conformation of the Repression Loop

All present enzymatic activity of Crystal Structure of Human Purple Acid Phosphatase with An Inhibitory Conformation of the Repression Loop:
3.1.3.2;

The structure of Crystal Structure of Human Purple Acid Phosphatase with An Inhibitory Conformation of the Repression Loop, PDB code: 2bq8 was solved by N.Straeter, B.Jasper, B.Krebs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.20
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	94.756, 94.756, 144.007, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 21.1

The structure of Crystal Structure of Human Purple Acid Phosphatase with An Inhibitory Conformation of the Repression Loop also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Iron atom in the Crystal Structure of Human Purple Acid Phosphatase with An Inhibitory Conformation of the Repression Loop (pdb code 2bq8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Human Purple Acid Phosphatase with An Inhibitory Conformation of the Repression Loop, PDB code: 2bq8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Human Purple Acid Phosphatase with An Inhibitory Conformation of the Repression Loop


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Human Purple Acid Phosphatase with An Inhibitory Conformation of the Repression Loop within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1305 b:20.6 occ:1.00 OH X:TYR53 1.8 20.9 1.0 O X:HOH2080 2.0 24.4 1.0 OD2 X:ASP145 2.0 23.5 1.0 OD1 X:ASP12 2.1 17.0 1.0 NE2 X:HIS221 2.2 16.4 1.0 OD2 X:ASP50 2.3 18.3 1.0 CZ X:TYR53 3.0 20.0 1.0 CG X:ASP145 3.1 25.1 1.0 CE1 X:HIS221 3.1 16.2 1.0 CG X:ASP12 3.2 17.9 1.0 CG X:ASP50 3.2 18.1 1.0 CD2 X:HIS221 3.3 18.4 1.0 FE X:FE21306 3.3 20.4 1.0 CE1 X:TYR53 3.4 20.6 1.0 OD1 X:ASP145 3.5 19.7 1.0 CB X:ASP50 3.5 17.9 1.0 CB X:ASP12 3.6 17.0 1.0 CE1 X:HIS184 4.1 18.4 1.0 O X:HIS219 4.2 19.9 1.0 CE2 X:TYR53 4.2 18.3 1.0 NE2 X:HIS184 4.2 19.1 1.0 OD2 X:ASP12 4.2 18.0 1.0 ND1 X:HIS221 4.3 17.3 1.0 CB X:ASP145 4.3 26.3 1.0 OD1 X:ASP50 4.3 17.9 1.0 CA X:ASP12 4.3 18.0 1.0 CG X:HIS221 4.4 18.3 1.0 CA X:HIS219 4.5 18.2 1.0 C X:HIS219 4.7 19.0 1.0 CD1 X:TYR53 4.8 18.6 1.0 ND1 X:HIS219 4.9 17.3 1.0 N X:HIS219 4.9 17.2 1.0 O X:HOH2102 5.0 32.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Human Purple Acid Phosphatase with An Inhibitory Conformation of the Repression Loop


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Human Purple Acid Phosphatase with An Inhibitory Conformation of the Repression Loop within 5.0Å range: probe atom residue distance (Å) B Occ X:Fe1306 b:20.4 occ:1.00 O X:HOH2080 2.0 24.4 1.0 O X:HOH2110 2.0 24.6 1.0 OD1 X:ASP145 2.1 19.7 1.0 NE2 X:HIS184 2.1 19.1 1.0 ND1 X:HIS219 2.2 17.3 1.0 OD2 X:ASP50 2.3 18.3 1.0 CE1 X:HIS219 2.9 17.3 1.0 CG X:ASP145 3.1 25.1 1.0 CD2 X:HIS184 3.1 16.9 1.0 CE1 X:HIS184 3.1 18.4 1.0 OD2 X:ASP145 3.2 23.5 1.0 CG X:ASP50 3.2 18.1 1.0 FE X:FE21305 3.3 20.6 1.0 CG X:HIS219 3.3 17.9 1.0 OD1 X:ASP50 3.6 17.9 1.0 CA X:HIS219 3.8 18.2 1.0 CB X:HIS219 3.9 18.1 1.0 OD1 X:ASP12 3.9 17.0 1.0 NE2 X:HIS219 4.1 19.4 1.0 ND1 X:HIS184 4.2 17.9 1.0 CG X:HIS184 4.3 19.2 1.0 O X:HIS219 4.3 19.9 1.0 CD2 X:HIS219 4.3 16.7 1.0 CD2 X:HIS90 4.4 22.4 1.0 CB X:ASP145 4.4 26.3 1.0 CB X:ASP50 4.5 17.9 1.0 N X:ASN89 4.5 19.5 1.0 C X:HIS219 4.5 19.0 1.0 O X:SER143 4.6 32.1 1.0 N X:HIS219 4.7 17.2 1.0 CA X:ASP145 4.8 27.6 1.0 OH X:TYR53 4.9 20.9 1.0 NE2 X:HIS221 4.9 16.4 1.0 CB X:ASN89 4.9 20.9 1.0 CE1 X:TYR185 5.0 17.4 1.0 N X:ASP145 5.0 28.6 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