Iron in PDB 7k89: Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate

All present enzymatic activity of Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate:
3.1.1.64; 5.3.3.22;

The structure of Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate, PDB code: 7k89 was solved by P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.84 / 2.15
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	175.695, 175.695, 86.214, 90, 90, 120
R / Rfree (%)	18.9 / 21.7

The structure of Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Iron atom in the Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate (pdb code 7k89). 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 Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate, PDB code: 7k89:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate


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 Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:35.2 occ:1.00 O2 A:PLM602 2.0 64.3 1.0 NE2 A:HIS180 2.2 36.5 1.0 NE2 A:HIS527 2.2 33.4 1.0 NE2 A:HIS313 2.2 36.3 1.0 NE2 A:HIS241 2.2 34.9 1.0 C1 A:PLM602 3.0 62.4 1.0 CD2 A:HIS313 3.0 36.3 1.0 CD2 A:HIS527 3.0 33.6 1.0 CD2 A:HIS241 3.1 33.9 1.0 CE1 A:HIS527 3.1 34.2 1.0 CD2 A:HIS180 3.1 36.4 1.0 CE1 A:HIS180 3.2 36.8 1.0 CE1 A:HIS241 3.2 34.3 1.0 CE1 A:HIS313 3.3 36.1 1.0 C2 A:PLM602 3.4 60.9 1.0 O1 A:PLM602 4.1 60.6 1.0 CG A:HIS527 4.1 34.3 1.0 ND1 A:HIS527 4.1 34.0 1.0 C4 A:PLM602 4.2 59.7 1.0 CG A:HIS313 4.2 35.4 1.0 ND1 A:HIS180 4.2 37.1 1.0 CG A:HIS180 4.3 36.7 1.0 CG A:HIS241 4.3 33.7 1.0 ND1 A:HIS313 4.3 35.6 1.0 ND1 A:HIS241 4.3 33.9 1.0 C3 A:PLM602 4.4 61.6 1.0 CG1 A:VAL134 4.8 38.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate


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 Bovine RPE65 in Complex with 4-Fluoro-Emixustat and Palmitate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:32.8 occ:1.00 O2 B:PLM602 2.0 62.3 1.0 NE2 B:HIS241 2.2 34.8 1.0 NE2 B:HIS313 2.2 33.7 1.0 NE2 B:HIS180 2.2 36.4 1.0 NE2 B:HIS527 2.2 34.1 1.0 C1 B:PLM602 3.0 61.1 1.0 CD2 B:HIS313 3.0 33.7 1.0 CD2 B:HIS527 3.1 34.3 1.0 CD2 B:HIS241 3.1 34.3 1.0 CE1 B:HIS527 3.1 34.5 1.0 CD2 B:HIS180 3.1 35.7 1.0 CE1 B:HIS180 3.2 37.0 1.0 CE1 B:HIS241 3.2 35.1 1.0 CE1 B:HIS313 3.2 33.6 1.0 C2 B:PLM602 3.4 60.8 1.0 O1 B:PLM602 4.1 59.8 1.0 C4 B:PLM602 4.2 59.4 1.0 ND1 B:HIS527 4.2 34.4 1.0 CG B:HIS527 4.2 34.7 1.0 CG B:HIS313 4.2 33.0 1.0 CG B:HIS241 4.3 34.6 1.0 ND1 B:HIS180 4.3 36.8 1.0 ND1 B:HIS313 4.3 33.5 1.0 ND1 B:HIS241 4.3 34.9 1.0 CG B:HIS180 4.3 36.2 1.0 C3 B:PLM602 4.4 61.1 1.0 CG1 B:VAL134 4.9 35.2 1.0

P.D.Kiser, P.D.Kiser. N/A N/A.