Iron in PDB 4rse: Crystal Structure of RPE65 in Complex with Mb-001 and Palmitate

All present enzymatic activity of Crystal Structure of RPE65 in Complex with Mb-001 and Palmitate:
3.1.1.64;

The structure of Crystal Structure of RPE65 in Complex with Mb-001 and Palmitate, PDB code: 4rse 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)	47.90 / 2.39
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	175.639, 175.639, 86.611, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 23.6

The binding sites of Iron atom in the Crystal Structure of RPE65 in Complex with Mb-001 and Palmitate (pdb code 4rse). 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 Mb-001 and Palmitate, PDB code: 4rse:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of RPE65 in Complex with Mb-001 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 Mb-001 and Palmitate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:40.8 occ:1.00 O2 A:PLM602 1.9 65.0 1.0 NE2 A:HIS180 2.2 36.5 1.0 NE2 A:HIS527 2.3 31.4 1.0 NE2 A:HIS313 2.4 38.8 1.0 NE2 A:HIS241 2.4 37.3 1.0 C1 A:PLM602 3.0 61.0 1.0 CE1 A:HIS180 3.1 35.4 1.0 CD2 A:HIS313 3.1 37.2 1.0 CD2 A:HIS527 3.2 34.6 1.0 CE1 A:HIS527 3.2 32.4 1.0 CD2 A:HIS180 3.3 34.5 1.0 CE1 A:HIS241 3.3 38.0 1.0 CD2 A:HIS241 3.4 35.0 1.0 CE1 A:HIS313 3.4 39.5 1.0 C2 A:PLM602 3.6 58.3 1.0 O1 A:PLM602 4.1 62.2 1.0 ND1 A:HIS527 4.3 33.1 1.0 C4 A:PLM602 4.3 60.0 1.0 ND1 A:HIS180 4.3 36.9 1.0 CG A:HIS527 4.3 35.3 1.0 CG A:HIS313 4.4 38.5 1.0 CG A:HIS180 4.4 36.4 1.0 ND1 A:HIS241 4.4 37.5 1.0 ND1 A:HIS313 4.5 41.2 1.0 CG A:HIS241 4.5 35.9 1.0 C3 A:PLM602 4.6 59.1 1.0 O A:HOH701 4.7 33.8 1.0 CG1 A:VAL134 4.7 45.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of RPE65 in Complex with Mb-001 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 Mb-001 and Palmitate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:37.3 occ:1.00 O1 B:PLM602 1.9 54.2 1.0 NE2 B:HIS313 2.3 34.4 1.0 NE2 B:HIS527 2.3 38.4 1.0 NE2 B:HIS241 2.3 31.4 1.0 NE2 B:HIS180 2.3 44.7 1.0 C1 B:PLM602 2.9 51.0 1.0 CD2 B:HIS313 3.1 34.7 1.0 C2 B:PLM602 3.2 51.6 1.0 CE1 B:HIS527 3.2 39.5 1.0 CE1 B:HIS241 3.2 31.3 1.0 CE1 B:HIS180 3.2 43.9 1.0 CD2 B:HIS527 3.3 39.1 1.0 CD2 B:HIS241 3.3 31.7 1.0 CD2 B:HIS180 3.4 42.5 1.0 CE1 B:HIS313 3.4 35.8 1.0 O2 B:PLM602 4.0 50.5 1.0 C4 B:PLM602 4.1 57.5 1.0 C3 B:PLM602 4.3 55.2 1.0 ND1 B:HIS527 4.3 40.9 1.0 CG B:HIS313 4.3 35.6 1.0 CG B:HIS527 4.4 39.1 1.0 ND1 B:HIS241 4.4 30.7 1.0 ND1 B:HIS180 4.4 43.0 1.0 ND1 B:HIS313 4.4 35.5 1.0 CG B:HIS241 4.5 30.7 1.0 CG B:HIS180 4.5 41.2 1.0 CG1 B:VAL134 4.8 41.5 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