Iron in PDB 4ou8: Crystal Structure of Apocarotenoid Oxygenase in the Presence of C8E6

All present enzymatic activity of Crystal Structure of Apocarotenoid Oxygenase in the Presence of C8E6:
1.13.11.75;

The structure of Crystal Structure of Apocarotenoid Oxygenase in the Presence of C8E6, PDB code: 4ou8 was solved by X.Sui, W.Shi, K.Palczewski, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.58 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	118.561, 125.122, 203.012, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 23.6

The structure of Crystal Structure of Apocarotenoid Oxygenase in the Presence of C8E6 also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Iron atom in the Crystal Structure of Apocarotenoid Oxygenase in the Presence of C8E6 (pdb code 4ou8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Apocarotenoid Oxygenase in the Presence of C8E6, PDB code: 4ou8:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Apocarotenoid Oxygenase in the Presence of C8E6


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 Apocarotenoid Oxygenase in the Presence of C8E6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:26.9 occ:1.00 O A:HOH625 2.0 32.3 1.0 NE2 A:HIS183 2.2 28.9 1.0 NE2 A:HIS304 2.2 32.2 1.0 NE2 A:HIS238 2.2 34.8 1.0 NE2 A:HIS484 2.2 24.9 1.0 CD2 A:HIS484 3.0 25.2 1.0 CE1 A:HIS183 3.0 28.7 1.0 CD2 A:HIS304 3.0 33.4 1.0 CD2 A:HIS238 3.1 34.4 1.0 CE1 A:HIS238 3.2 35.4 1.0 CE1 A:HIS484 3.2 25.3 1.0 CE1 A:HIS304 3.2 33.3 1.0 CD2 A:HIS183 3.3 29.6 1.0 CG A:HIS484 4.1 26.0 1.0 ND1 A:HIS484 4.2 25.1 1.0 ND1 A:HIS183 4.2 28.9 1.0 CG A:HIS304 4.2 34.1 1.0 CG A:HIS238 4.2 34.3 1.0 ND1 A:HIS238 4.3 35.4 1.0 ND1 A:HIS304 4.3 33.0 1.0 CG A:HIS183 4.3 29.8 1.0 CG2 A:THR136 4.6 30.4 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Apocarotenoid Oxygenase in the Presence of C8E6


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 Apocarotenoid Oxygenase in the Presence of C8E6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:30.8 occ:1.00 O B:HOH606 2.1 21.4 1.0 NE2 B:HIS304 2.1 34.4 1.0 NE2 B:HIS484 2.2 26.0 1.0 NE2 B:HIS183 2.2 30.9 1.0 NE2 B:HIS238 2.3 32.1 1.0 CD2 B:HIS304 3.0 34.4 1.0 CD2 B:HIS484 3.0 25.8 1.0 CE1 B:HIS183 3.0 30.9 1.0 CD2 B:HIS238 3.1 32.2 1.0 CE1 B:HIS304 3.2 35.6 1.0 CE1 B:HIS484 3.2 25.9 1.0 CE1 B:HIS238 3.3 33.3 1.0 CD2 B:HIS183 3.3 31.0 1.0 CG B:HIS304 4.2 35.4 1.0 CG B:HIS484 4.2 25.7 1.0 ND1 B:HIS484 4.2 25.5 1.0 ND1 B:HIS304 4.2 35.1 1.0 ND1 B:HIS183 4.2 30.8 1.0 CG B:HIS238 4.3 32.7 1.0 ND1 B:HIS238 4.3 33.4 1.0 CG B:HIS183 4.4 31.1 1.0 CG2 B:THR136 4.6 29.9 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Apocarotenoid Oxygenase in the Presence of C8E6


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Apocarotenoid Oxygenase in the Presence of C8E6 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:30.0 occ:0.98 NE2 C:HIS484 2.2 32.3 1.0 NE2 C:HIS238 2.2 37.2 1.0 NE2 C:HIS304 2.3 34.9 1.0 NE2 C:HIS183 2.3 38.2 1.0 O C:HOH601 2.4 30.1 1.0 CD2 C:HIS484 3.0 32.7 1.0 CE1 C:HIS238 3.2 37.6 1.0 CE1 C:HIS183 3.2 38.4 1.0 CD2 C:HIS238 3.2 37.0 1.0 CE1 C:HIS484 3.2 31.8 1.0 CD2 C:HIS304 3.2 36.4 1.0 CE1 C:HIS304 3.3 35.2 1.0 CD2 C:HIS183 3.4 38.8 1.0 CG C:HIS484 4.1 32.9 1.0 ND1 C:HIS484 4.2 32.0 1.0 ND1 C:HIS238 4.3 37.9 1.0 CG C:HIS238 4.3 38.1 1.0 ND1 C:HIS183 4.3 39.7 1.0 CG C:HIS304 4.4 36.4 1.0 ND1 C:HIS304 4.4 35.0 1.0 CG2 C:THR136 4.4 36.4 1.0 CG C:HIS183 4.5 39.0 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Apocarotenoid Oxygenase in the Presence of C8E6


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Apocarotenoid Oxygenase in the Presence of C8E6 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:31.8 occ:1.00 NE2 D:HIS238 2.0 41.2 1.0 NE2 D:HIS484 2.3 36.0 1.0 NE2 D:HIS304 2.4 38.0 1.0 NE2 D:HIS183 2.4 39.7 1.0 CE1 D:HIS238 3.0 40.7 1.0 O D:HOH605 3.0 28.3 1.0 CD2 D:HIS484 3.1 36.5 1.0 CD2 D:HIS238 3.1 41.7 1.0 CD2 D:HIS304 3.3 39.2 1.0 CE1 D:HIS183 3.3 40.7 1.0 CE1 D:HIS304 3.4 37.3 1.0 CE1 D:HIS484 3.4 36.6 1.0 CD2 D:HIS183 3.5 40.3 1.0 ND1 D:HIS238 4.1 42.1 1.0 CG D:HIS238 4.2 42.9 1.0 CG D:HIS484 4.3 37.8 1.0 CG2 D:THR136 4.4 39.9 1.0 ND1 D:HIS484 4.4 36.7 1.0 ND1 D:HIS304 4.5 37.1 1.0 CG D:HIS304 4.5 38.0 1.0 ND1 D:HIS183 4.5 41.5 1.0 CG D:HIS183 4.6 41.1 1.0

X.Sui, P.D.Kiser, T.Che, P.R.Carey, M.Golczak, W.Shi, J.Von Lintig, K.Palczewski. Analysis of Carotenoid Isomerase Activity in A Prototypical Carotenoid Cleavage Enzyme, Apocarotenoid Oxygenase (Aco). J.Biol.Chem. V. 289 12286 2014.
ISSN: ISSN 0021-9258
PubMed: 24648526
DOI: 10.1074/JBC.M114.552836