Chlorine in PDB 6vch: Crystal Structure of Nitrosotalea Devanaterra Carotenoid Cleavage Dioxygenase in Complex with 3-Hydroxy-Beta-Apo-14'-Carotenal

The structure of Crystal Structure of Nitrosotalea Devanaterra Carotenoid Cleavage Dioxygenase in Complex with 3-Hydroxy-Beta-Apo-14'-Carotenal, PDB code: 6vch was solved by A.Daruwalla, W.Shi, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.13 / 2.35
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	107.250, 107.250, 490.238, 90.00, 90.00, 120.00
R / Rfree (%)	21.3 / 23.4

The structure of Crystal Structure of Nitrosotalea Devanaterra Carotenoid Cleavage Dioxygenase in Complex with 3-Hydroxy-Beta-Apo-14'-Carotenal also contains other interesting chemical elements:

Cobalt	(Co)	6 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Nitrosotalea Devanaterra Carotenoid Cleavage Dioxygenase in Complex with 3-Hydroxy-Beta-Apo-14'-Carotenal (pdb code 6vch). 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 Nitrosotalea Devanaterra Carotenoid Cleavage Dioxygenase in Complex with 3-Hydroxy-Beta-Apo-14'-Carotenal, PDB code: 6vch:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Nitrosotalea Devanaterra Carotenoid Cleavage Dioxygenase in Complex with 3-Hydroxy-Beta-Apo-14'-Carotenal


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 Nitrosotalea Devanaterra Carotenoid Cleavage Dioxygenase in Complex with 3-Hydroxy-Beta-Apo-14'-Carotenal within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:81.0 occ:1.00 N A:LEU243 3.3 55.9 1.0 CD A:PRO242 3.5 54.5 1.0 N A:PRO242 3.5 54.0 1.0 CG A:LEU243 3.6 60.5 1.0 CB A:LEU243 3.7 58.6 1.0 C A:LYS241 3.9 54.8 1.0 CB A:LYS241 3.9 60.0 1.0 CB A:PRO242 4.0 56.0 1.0 CA A:LYS241 4.1 55.5 1.0 CA A:LEU243 4.1 56.9 1.0 CA A:PRO242 4.1 54.5 1.0 C A:PRO242 4.2 54.8 1.0 CG A:PRO242 4.2 55.3 1.0 CD1 A:LEU243 4.4 62.6 1.0 O A:LYS241 4.7 53.8 1.0 CD2 A:LEU243 4.7 60.6 1.0 CG A:LYS241 4.7 63.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Nitrosotalea Devanaterra Carotenoid Cleavage Dioxygenase in Complex with 3-Hydroxy-Beta-Apo-14'-Carotenal


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 Nitrosotalea Devanaterra Carotenoid Cleavage Dioxygenase in Complex with 3-Hydroxy-Beta-Apo-14'-Carotenal within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl502 b:72.2 occ:1.00 ND2 E:ASN208 3.6 79.1 1.0 NE2 E:HIS206 4.0 89.8 1.0 CA E:ASN208 4.2 71.2 1.0 CB E:ASN208 4.3 74.1 1.0 CG E:ASN208 4.4 77.6 1.0 N E:LEU209 4.6 65.7 1.0 CE1 E:HIS206 4.7 89.4 1.0 C E:ASN208 4.9 67.7 1.0

A.Daruwalla, J.Zhang, H.J.Lee, N.Khadka, E.R.Farquhar, W.Shi, J.Von Lintig, P.D.Kiser. Structural Basis For Carotenoid Cleavage By An Archaeal Carotenoid Dioxygenase. Proc.Natl.Acad.Sci.Usa V. 117 19914 2020.
ISSN: ESSN 1091-6490
PubMed: 32747548
DOI: 10.1073/PNAS.2004116117