Chlorine in PDB 8fty: Crystal Structure of the Carotenoid Isomerooxygenase, Ninab

The structure of Crystal Structure of the Carotenoid Isomerooxygenase, Ninab, PDB code: 8fty was solved by P.D.Kiser, Y.J.Solano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.67 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	349.934, 52.036, 210.036, 90, 98.95, 90
R / Rfree (%)	21.7 / 24.7

The structure of Crystal Structure of the Carotenoid Isomerooxygenase, Ninab also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Arsenic	(As)	1 atom
Iron	(Fe)	8 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab (pdb code 8fty). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab, PDB code: 8fty:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab


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 the Carotenoid Isomerooxygenase, Ninab within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:35.0 occ:0.50 ND2 A:ASN415 3.3 31.1 1.0 CD A:PRO435 3.5 34.3 1.0 N A:PRO435 3.6 33.3 1.0 CA A:ARG434 3.7 33.3 1.0 C A:ARG434 3.7 32.8 1.0 O A:CYS433 3.7 35.2 1.0 SG A:CYS433 3.8 34.5 1.0 CG A:PRO435 3.8 34.9 1.0 C A:CYS433 4.0 34.2 1.0 N A:ARG434 4.0 33.7 1.0 CA A:PRO435 4.4 32.9 1.0 CG A:ASN415 4.4 32.0 1.0 O A:ARG434 4.4 32.9 1.0 CB A:CYS433 4.6 33.6 1.0 CB A:ASN415 4.7 33.6 1.0 CB A:PRO435 4.8 34.3 1.0 CA A:CYS433 4.9 32.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab


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 the Carotenoid Isomerooxygenase, Ninab within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl604 b:32.2 occ:0.50 ND2 D:ASN415 3.4 29.0 1.0 O D:HOH2106 3.4 37.6 0.5 CD D:PRO435 3.5 29.2 1.0 CA D:ARG434 3.6 28.0 1.0 N D:PRO435 3.6 29.5 1.0 O D:CYS433 3.7 25.9 1.0 C D:ARG434 3.7 28.7 1.0 SG D:CYS433 3.7 30.1 1.0 C D:CYS433 3.9 27.4 1.0 CG D:PRO435 3.9 28.8 1.0 N D:ARG434 3.9 27.6 1.0 CA D:PRO435 4.4 29.4 1.0 O D:ARG434 4.4 30.0 1.0 CG D:ASN415 4.4 29.3 1.0 CB D:CYS433 4.5 28.4 1.0 CB D:ASN415 4.7 29.0 1.0 CB D:PRO435 4.8 29.0 1.0 CA D:CYS433 4.9 27.7 1.0 CB D:ARG434 5.0 29.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Carotenoid Isomerooxygenase, Ninab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Carotenoid Isomerooxygenase, Ninab within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl605 b:57.2 occ:1.00 N E:LEU236 3.2 31.8 1.0 ND1 E:HIS237 3.4 29.9 1.0 N E:ALA235 3.5 30.7 1.0 C E:TRP234 3.8 32.5 1.0 CB E:TRP234 3.8 33.6 1.0 CB E:LEU236 3.8 36.9 1.0 CA E:LEU236 3.9 34.2 1.0 N E:HIS237 4.0 29.6 1.0 CA E:TRP234 4.1 33.1 1.0 CE1 E:HIS237 4.2 29.5 1.0 C E:LEU236 4.2 31.8 1.0 C E:ALA235 4.2 31.1 1.0 CA E:ALA235 4.3 30.9 1.0 CG E:HIS237 4.4 29.1 1.0 CG E:LEU236 4.4 39.5 1.0 O E:TRP234 4.4 32.8 1.0 CB E:HIS237 4.6 28.0 1.0 CB E:ALA235 4.6 31.1 1.0 C1 E:MPD604 4.6 47.9 1.0 CG E:TRP234 4.8 36.2 1.0 CD1 E:LEU236 4.9 40.6 1.0 CA E:HIS237 4.9 28.4 1.0

Y.J.Solano, P.D.Kiser. Structure of the Carotenoid Isomerooxygenase To Be Published.