Chlorine in PDB 5kja: Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - TRP149ALA

All present enzymatic activity of Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - TRP149ALA:
1.13.11.75;

The structure of Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - TRP149ALA, PDB code: 5kja was solved by X.Sui, P.D.Kiser, K.Palczewski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.62 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	118.140, 125.260, 203.570, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 23.9

The structure of Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - TRP149ALA also contains other interesting chemical elements:

Iron

(Fe)

5 atoms

The binding sites of Chlorine atom in the Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - TRP149ALA (pdb code 5kja). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - TRP149ALA, PDB code: 5kja:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - TRP149ALA


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - TRP149ALA within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:61.7 occ:1.00 N C:ASP32 3.1 49.4 1.0 ND2 A:ASN341 3.2 68.7 1.0 ND2 A:ASN338 3.3 64.7 1.0 O C:ASP32 3.4 51.4 1.0 CA C:TRP31 3.7 49.4 1.0 CE3 C:TRP31 3.8 40.3 1.0 C C:ASP32 3.8 47.5 1.0 C C:TRP31 3.9 49.4 1.0 CA C:ASP32 4.0 52.6 1.0 CB A:ASN338 4.0 60.2 1.0 CD1 C:TYR33 4.0 43.3 1.0 CG A:ASN338 4.1 57.5 1.0 CB C:TRP31 4.1 49.8 1.0 CG A:ASN341 4.2 70.5 1.0 OD1 A:ASN341 4.3 84.0 1.0 CB C:TYR33 4.4 44.4 1.0 CD2 C:TRP31 4.5 44.9 1.0 O C:GLU30 4.6 49.4 1.0 CZ3 C:TRP31 4.6 40.6 1.0 N C:TYR33 4.6 45.5 1.0 CB C:ASP32 4.6 53.9 1.0 CG C:TRP31 4.7 50.1 1.0 CG C:TYR33 4.7 42.3 1.0 CE1 C:TYR33 4.9 43.0 1.0 N C:TRP31 4.9 49.3 1.0

Chlorine binding site 2 out of 2 in the Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - TRP149ALA


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Synechocystis Apocarotenoid Oxygenase (Aco) Mutant - TRP149ALA within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:56.2 occ:1.00 N D:ASP32 3.1 60.4 1.0 ND2 B:ASN341 3.4 67.0 1.0 O D:ASP32 3.5 63.5 1.0 ND2 B:ASN338 3.6 47.5 1.0 CA D:TRP31 3.6 45.5 1.0 CE3 D:TRP31 3.7 41.3 1.0 C D:TRP31 3.9 51.9 1.0 C D:ASP32 3.9 55.4 1.0 CA D:ASP32 4.0 59.5 1.0 CD1 D:TYR33 4.0 57.6 1.0 CB D:TRP31 4.1 44.2 1.0 CB B:ASN338 4.2 49.0 1.0 CD2 D:TRP31 4.4 48.0 1.0 CG B:ASN338 4.4 47.4 1.0 CG B:ASN341 4.4 64.9 1.0 CB D:TYR33 4.5 52.7 1.0 O D:GLU30 4.5 54.4 1.0 CZ3 D:TRP31 4.5 36.1 1.0 CG D:TRP31 4.6 47.2 1.0 OD1 B:ASN341 4.6 67.2 1.0 CB D:ASP32 4.7 61.3 1.0 N D:TYR33 4.7 45.1 1.0 CG D:TYR33 4.7 54.6 1.0 N D:TRP31 4.9 45.3 1.0 CE1 D:TYR33 4.9 52.9 1.0

X.Sui, J.Zhang, M.Golczak, K.Palczewski, P.D.Kiser. Key Residues For Catalytic Function and Metal Coordination in A Carotenoid Cleavage Dioxygenase. J.Biol.Chem. V. 291 19401 2016.
ISSN: ESSN 1083-351X
PubMed: 27453555
DOI: 10.1074/JBC.M116.744912