Iron in PDB 4ryz: Crystal Structure of RPE65 in Complex with S-Emixustat and Palmitate

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

The structure of Crystal Structure of RPE65 in Complex with S-Emixustat and Palmitate, PDB code: 4ryz 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)	47.84 / 2.50
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	175.603, 175.603, 86.323, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 21.9

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

Iron binding site 1 out of 2 in the Crystal Structure of RPE65 in Complex with S-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 S-Emixustat and Palmitate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:34.3 occ:1.00 O2 A:PLM602 1.9 64.0 1.0 NE2 A:HIS527 2.2 30.4 1.0 NE2 A:HIS180 2.2 35.0 1.0 NE2 A:HIS313 2.3 33.8 1.0 NE2 A:HIS241 2.3 31.1 1.0 C1 A:PLM602 3.0 58.7 1.0 CE1 A:HIS527 3.0 32.1 1.0 CD2 A:HIS313 3.1 34.7 1.0 CE1 A:HIS180 3.1 33.0 1.0 CD2 A:HIS527 3.2 30.2 1.0 CD2 A:HIS180 3.2 35.1 1.0 CE1 A:HIS241 3.3 32.8 1.0 CD2 A:HIS241 3.4 30.4 1.0 CE1 A:HIS313 3.4 34.6 1.0 C2 A:PLM602 3.4 57.4 1.0 O1 A:PLM602 4.0 62.0 1.0 C4 A:PLM602 4.1 63.8 1.0 ND1 A:HIS527 4.1 32.0 1.0 CG A:HIS527 4.2 31.6 1.0 ND1 A:HIS180 4.2 36.6 1.0 CG A:HIS313 4.3 33.6 1.0 CG A:HIS180 4.3 35.0 1.0 C3 A:PLM602 4.4 64.1 1.0 ND1 A:HIS313 4.4 34.2 1.0 ND1 A:HIS241 4.4 32.4 1.0 CG A:HIS241 4.5 29.4 1.0 CG1 A:VAL134 4.7 36.6 1.0 O A:HOH701 5.0 26.3 1.0 CE1 A:PHE418 5.0 31.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of RPE65 in Complex with S-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 S-Emixustat and Palmitate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:29.6 occ:1.00 O1 B:PLM602 1.9 50.8 1.0 NE2 B:HIS180 2.2 35.7 1.0 NE2 B:HIS241 2.3 30.7 1.0 NE2 B:HIS527 2.3 28.7 1.0 NE2 B:HIS313 2.3 28.6 1.0 C1 B:PLM602 3.0 49.0 1.0 CE1 B:HIS527 3.1 28.2 1.0 CD2 B:HIS313 3.1 30.5 1.0 CE1 B:HIS241 3.2 32.3 1.0 CE1 B:HIS180 3.2 34.7 1.0 CD2 B:HIS180 3.2 34.8 1.0 CD2 B:HIS527 3.3 29.5 1.0 CD2 B:HIS241 3.3 30.3 1.0 CE1 B:HIS313 3.4 29.2 1.0 C2 B:PLM602 3.4 49.9 1.0 O2 B:PLM602 4.0 51.0 1.0 ND1 B:HIS527 4.2 28.1 1.0 CG B:HIS527 4.3 29.5 1.0 ND1 B:HIS180 4.3 35.0 1.0 C4 B:PLM602 4.3 53.7 1.0 CG B:HIS313 4.3 29.8 1.0 ND1 B:HIS241 4.3 31.2 1.0 CG B:HIS180 4.3 34.4 1.0 CG B:HIS241 4.4 29.5 1.0 ND1 B:HIS313 4.4 29.9 1.0 C3 B:PLM602 4.5 54.0 1.0 CG1 B:VAL134 4.8 36.5 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.