Iron in PDB 4rsc: Crystal Structure of RPE65 in Complex with Emixustat and Palmitate

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

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

Resolution Low / High (Å)	47.93 / 1.80
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	175.891, 175.891, 86.533, 90.00, 90.00, 120.00
R / Rfree (%)	16.5 / 19.6

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

Iron binding site 1 out of 2 in the Crystal Structure of RPE65 in Complex with 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 Emixustat and Palmitate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:23.4 occ:1.00 O2 A:PLM602 2.0 45.4 1.0 NE2 A:HIS313 2.2 21.9 1.0 NE2 A:HIS527 2.2 23.0 1.0 NE2 A:HIS180 2.2 21.3 1.0 NE2 A:HIS241 2.3 23.6 1.0 C1 A:PLM602 2.7 42.0 1.0 C2 A:PLM602 2.9 38.9 1.0 CE1 A:HIS527 3.1 23.9 1.0 CE1 A:HIS180 3.1 22.9 1.0 CD2 A:HIS313 3.1 23.0 1.0 CD2 A:HIS527 3.1 23.0 1.0 CE1 A:HIS241 3.2 22.4 1.0 CE1 A:HIS313 3.2 22.3 1.0 CD2 A:HIS180 3.3 22.4 1.0 CD2 A:HIS241 3.3 23.4 1.0 O1 A:PLM602 3.9 41.2 1.0 ND1 A:HIS527 4.2 23.1 1.0 CG A:HIS527 4.2 23.8 1.0 C3 A:PLM602 4.2 45.4 1.0 ND1 A:HIS180 4.3 24.4 1.0 CG A:HIS313 4.3 21.9 1.0 ND1 A:HIS313 4.3 21.4 1.0 ND1 A:HIS241 4.3 22.7 1.0 CG A:HIS180 4.4 22.1 1.0 C4 A:PLM602 4.4 45.1 1.0 CG A:HIS241 4.4 21.4 1.0 CG1 A:VAL134 4.8 27.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of RPE65 in Complex with 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 Emixustat and Palmitate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:22.3 occ:1.00 O1 B:PLM602 2.1 45.1 1.0 NE2 B:HIS313 2.2 21.2 1.0 NE2 B:HIS180 2.2 21.8 1.0 NE2 B:HIS527 2.2 22.6 1.0 NE2 B:HIS241 2.3 20.4 1.0 C2 B:PLM602 2.7 37.8 1.0 C1 B:PLM602 2.7 40.1 1.0 CE1 B:HIS180 3.1 25.4 1.0 CE1 B:HIS527 3.1 21.2 1.0 CD2 B:HIS313 3.1 21.5 1.0 CD2 B:HIS527 3.2 21.6 1.0 CE1 B:HIS313 3.2 20.9 1.0 CE1 B:HIS241 3.2 20.6 1.0 CD2 B:HIS180 3.2 20.9 1.0 CD2 B:HIS241 3.3 19.5 1.0 O2 B:PLM602 4.0 42.7 1.0 C3 B:PLM602 4.2 42.6 1.0 ND1 B:HIS527 4.2 21.8 1.0 ND1 B:HIS180 4.2 24.8 1.0 CG B:HIS527 4.2 20.7 1.0 CG B:HIS313 4.3 19.8 1.0 ND1 B:HIS313 4.3 19.6 1.0 CG B:HIS180 4.3 22.4 1.0 ND1 B:HIS241 4.4 22.5 1.0 C4 B:PLM602 4.4 39.8 1.0 CG B:HIS241 4.4 20.6 1.0 CG1 B:VAL134 4.8 25.2 1.0

P.D.Kiser, J.Zhang, M.Badiee, Q.Li, W.Shi, X.Sui, M.Golczak, G.P.Tochtrop, K.Palczewski. Catalytic Mechanism of A Retinoid Isomerase Essential For Vertebrate Vision Nat.Chem.Biol. 2015.
ISSN: ESSN 1552-4469
DOI: 10.1038/NCHEMBIO.1799