Iron in PDB 3acl: Crystal Structure of Human Pirin in Complex with Triphenyl Compound

The structure of Crystal Structure of Human Pirin in Complex with Triphenyl Compound, PDB code: 3acl was solved by H.Okumura, I.Miyazaki, S.Simizu, H.Osada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.86 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.343, 67.415, 107.785, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 24.6

The binding sites of Iron atom in the Crystal Structure of Human Pirin in Complex with Triphenyl Compound (pdb code 3acl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Human Pirin in Complex with Triphenyl Compound, PDB code: 3acl:

Iron binding site 1 out of 1 in the Crystal Structure of Human Pirin in Complex with Triphenyl Compound


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 Pirin in Complex with Triphenyl Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:18.0 occ:1.00 NE2 A:HIS56 2.0 12.4 1.0 NE2 A:HIS58 2.2 11.3 1.0 NE2 A:HIS101 2.4 9.5 1.0 OE1 A:GLU103 2.4 18.6 1.0 O A:HOH402 2.5 11.6 1.0 O A:HOH401 3.0 22.6 1.0 CE1 A:HIS56 3.0 13.3 1.0 CD2 A:HIS56 3.0 12.6 1.0 CE1 A:HIS58 3.1 9.1 1.0 CE1 A:HIS101 3.1 3.0 1.0 CD A:GLU103 3.2 18.1 1.0 CD2 A:HIS58 3.2 10.4 1.0 CD2 A:HIS101 3.5 9.4 1.0 OE2 A:GLU103 3.6 20.3 1.0 ND1 A:HIS56 4.1 15.4 1.0 CG A:HIS56 4.2 14.8 1.0 ND1 A:HIS58 4.3 13.9 1.0 CG A:GLU103 4.3 16.6 1.0 ND1 A:HIS101 4.3 2.4 1.0 CG A:HIS58 4.4 9.0 1.0 NE2 A:GLN115 4.5 15.1 1.0 N11 A:3F1302 4.5 43.5 1.0 CG A:HIS101 4.5 9.2 1.0 O16 A:3F1302 4.5 44.9 1.0 OE1 A:GLN115 4.7 13.2 1.0 C17 A:3F1302 4.9 35.7 1.0

I.Miyazaki, S.Simizu, H.Okumura, S.Takagi, H.Osada. A Small-Molecule Inhibitor Shows That Pirin Regulates Migration of Melanoma Cells Nat.Chem.Biol. V. 6 667 2010.
ISSN: ISSN 1552-4450
PubMed: 20711196
DOI: 10.1038/NCHEMBIO.423