Iron in PDB 4ryy: Crystal Structure of RPE65 in Complex with R-Emixustat and Palmitate

All present enzymatic activity of Crystal Structure of RPE65 in Complex with R-Emixustat and Palmitate:
3.1.1.64;

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

Resolution Low / High (Å)	47.91 / 2.30
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	175.844, 175.844, 86.424, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 21.5

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

Iron binding site 1 out of 2 in the Crystal Structure of RPE65 in Complex with R-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 RPE65 in Complex with R-Emixustat and Palmitate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:29.9 occ:1.00 O2 A:PLM602 1.9 50.5 1.0 NE2 A:HIS527 2.2 26.3 1.0 NE2 A:HIS180 2.2 27.8 1.0 NE2 A:HIS313 2.3 28.2 1.0 NE2 A:HIS241 2.3 27.6 1.0 C1 A:PLM602 2.9 45.4 1.0 CE1 A:HIS180 3.1 27.2 1.0 CE1 A:HIS527 3.1 28.1 1.0 CD2 A:HIS313 3.1 26.8 1.0 CD2 A:HIS527 3.2 25.9 1.0 C2 A:PLM602 3.2 46.4 1.0 CE1 A:HIS241 3.3 27.4 1.0 CD2 A:HIS180 3.3 28.2 1.0 CE1 A:HIS313 3.3 28.1 1.0 CD2 A:HIS241 3.3 25.9 1.0 O1 A:PLM602 4.0 48.3 1.0 ND1 A:HIS527 4.2 28.2 1.0 C4 A:PLM602 4.2 52.9 1.0 ND1 A:HIS180 4.2 29.1 1.0 CG A:HIS527 4.2 26.3 1.0 CG A:HIS313 4.3 27.8 1.0 C3 A:PLM602 4.3 50.9 1.0 ND1 A:HIS313 4.4 29.4 1.0 CG A:HIS180 4.4 27.7 1.0 ND1 A:HIS241 4.4 28.2 1.0 CG A:HIS241 4.5 25.0 1.0 CG1 A:VAL134 4.8 32.6 1.0 O A:HOH701 4.8 22.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of RPE65 in Complex with R-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 RPE65 in Complex with R-Emixustat and Palmitate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:29.6 occ:1.00 O2 B:PLM602 1.9 47.4 1.0 NE2 B:HIS527 2.2 28.7 1.0 NE2 B:HIS180 2.2 30.6 1.0 NE2 B:HIS313 2.3 27.4 1.0 NE2 B:HIS241 2.3 27.0 1.0 C1 B:PLM602 2.9 44.1 1.0 CE1 B:HIS180 3.1 30.9 1.0 CE1 B:HIS527 3.1 28.3 1.0 CD2 B:HIS313 3.1 27.7 1.0 CD2 B:HIS527 3.2 26.6 1.0 C2 B:PLM602 3.2 45.7 1.0 CE1 B:HIS241 3.3 25.0 1.0 CD2 B:HIS241 3.3 26.1 1.0 CE1 B:HIS313 3.3 27.3 1.0 CD2 B:HIS180 3.3 29.6 1.0 O1 B:PLM602 4.0 43.0 1.0 ND1 B:HIS527 4.2 29.2 1.0 CG B:HIS527 4.2 28.3 1.0 C4 B:PLM602 4.3 47.5 1.0 ND1 B:HIS180 4.3 32.8 1.0 CG B:HIS313 4.3 29.0 1.0 C3 B:PLM602 4.4 47.7 1.0 ND1 B:HIS313 4.4 28.7 1.0 ND1 B:HIS241 4.4 26.4 1.0 CG B:HIS180 4.4 30.1 1.0 CG B:HIS241 4.4 25.0 1.0 CG1 B:VAL134 4.8 30.2 1.0

J.Zhang, P.D.Kiser, M.Badiee, G.Palczewska, M.Golczak, G.P.Tochtrop, K.Palczewski. The Janus Face of Primary Amine Compounds in Visual Cycle Modulation To Be Published.