Chlorine in PDB 4ou9: Crystal Structure of Apocarotenoid Oxygenase in the Presence of Triton X-100

All present enzymatic activity of Crystal Structure of Apocarotenoid Oxygenase in the Presence of Triton X-100:
1.13.11.75;

The structure of Crystal Structure of Apocarotenoid Oxygenase in the Presence of Triton X-100, PDB code: 4ou9 was solved by X.Sui, K.Palczewski, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.61 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	118.470, 125.390, 202.540, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.5

The structure of Crystal Structure of Apocarotenoid Oxygenase in the Presence of Triton X-100 also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Apocarotenoid Oxygenase in the Presence of Triton X-100 (pdb code 4ou9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Apocarotenoid Oxygenase in the Presence of Triton X-100, PDB code: 4ou9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Apocarotenoid Oxygenase in the Presence of Triton X-100


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Apocarotenoid Oxygenase in the Presence of Triton X-100 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:45.9 occ:1.00 O C:HOH725 3.0 48.6 1.0 N C:ASP32 3.3 43.4 1.0 ND2 A:ASN341 3.3 52.0 1.0 ND2 A:ASN338 3.4 49.1 1.0 O C:HOH732 3.4 51.7 1.0 O C:ASP32 3.7 42.8 1.0 CA C:TRP31 3.7 38.7 1.0 CE3 C:TRP31 3.8 37.6 1.0 CB A:ASN338 3.9 44.1 1.0 CD1 C:TYR33 4.0 43.0 1.0 C C:TRP31 4.0 40.7 1.0 C C:ASP32 4.0 44.8 1.0 OD1 A:ASN341 4.1 53.7 1.0 CG A:ASN341 4.1 53.0 1.0 CG A:ASN338 4.2 44.9 1.0 CB C:TRP31 4.2 37.6 1.0 CA C:ASP32 4.2 44.8 1.0 O C:GLU30 4.4 40.1 1.0 CD2 C:TRP31 4.5 35.4 1.0 CB C:TYR33 4.6 44.3 1.0 CZ3 C:TRP31 4.6 38.3 1.0 CG C:TRP31 4.7 36.7 1.0 CG C:TYR33 4.7 42.8 1.0 CB C:ASP32 4.8 49.6 1.0 N C:TYR33 4.8 42.8 1.0 CE1 C:TYR33 4.8 41.1 1.0 N C:TRP31 4.9 37.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Apocarotenoid Oxygenase in the Presence of Triton X-100


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Apocarotenoid Oxygenase in the Presence of Triton X-100 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:49.8 occ:1.00 O D:HOH775 2.9 56.5 1.0 N D:ASP32 3.3 45.7 1.0 ND2 B:ASN341 3.4 51.0 1.0 ND2 B:ASN338 3.4 50.7 1.0 O B:HOH819 3.5 55.9 1.0 O D:ASP32 3.7 45.5 1.0 CE3 D:TRP31 3.7 43.4 1.0 CA D:TRP31 3.8 42.4 1.0 CB B:ASN338 3.9 46.9 1.0 C D:TRP31 4.1 43.0 1.0 C D:ASP32 4.1 47.5 1.0 CD1 D:TYR33 4.1 45.5 1.0 CG B:ASN338 4.2 47.8 1.0 CB D:TRP31 4.2 41.5 1.0 CA D:ASP32 4.3 46.3 1.0 CG B:ASN341 4.3 51.6 1.0 OD1 B:ASN341 4.4 53.5 1.0 O D:GLU30 4.4 40.0 1.0 CD2 D:TRP31 4.4 41.6 1.0 CZ3 D:TRP31 4.4 44.8 1.0 CG D:TRP31 4.7 40.7 1.0 CB D:TYR33 4.8 48.1 1.0 CB D:ASP32 4.8 48.6 1.0 N D:TRP31 4.9 41.5 1.0 N D:TYR33 4.9 47.1 1.0 CG D:TYR33 4.9 47.1 1.0 CE1 D:TYR33 4.9 44.5 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