Chlorine in PDB 6n1y: Structure of L509V CAO1 - Growth Condition 1

The structure of Structure of L509V CAO1 - Growth Condition 1, PDB code: 6n1y was solved by N.Khadka, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.37 / 2.15
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.210, 101.210, 450.180, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 21.8

The structure of Structure of L509V CAO1 - Growth Condition 1 also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Structure of L509V CAO1 - Growth Condition 1 (pdb code 6n1y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of L509V CAO1 - Growth Condition 1, PDB code: 6n1y:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of L509V CAO1 - Growth Condition 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of L509V CAO1 - Growth Condition 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:53.5 occ:1.00 NH2 A:ARG112 3.0 54.8 1.0 N A:THR179 3.1 37.0 1.0 O A:HOH909 3.3 52.2 1.0 O A:HOH767 3.7 32.2 1.0 O A:THR179 3.7 37.6 1.0 CG A:GLU178 3.8 51.2 1.0 CB A:THR179 3.9 38.8 1.0 CZ A:ARG112 3.9 53.1 1.0 NE A:ARG112 3.9 48.6 1.0 CA A:THR179 3.9 40.2 1.0 CA A:GLU178 3.9 41.0 1.0 CD A:ARG115 4.0 41.2 1.0 C A:GLU178 4.0 39.0 1.0 CG A:ARG115 4.1 40.0 1.0 OG1 A:THR179 4.2 37.4 1.0 C A:THR179 4.3 39.1 1.0 CB A:ARG115 4.4 38.4 1.0 CB A:GLU178 4.4 44.3 1.0 NE A:ARG115 4.4 40.1 1.0 CD A:GLU178 5.0 57.1 1.0

Chlorine binding site 2 out of 4 in the Structure of L509V CAO1 - Growth Condition 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of L509V CAO1 - Growth Condition 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:59.0 occ:1.00 NH2 B:ARG112 2.9 57.3 1.0 N B:THR179 3.4 42.3 1.0 CG B:GLU178 3.8 56.0 1.0 CZ B:ARG112 3.9 54.2 1.0 O B:THR179 3.9 40.8 1.0 O B:HOH736 4.0 31.5 1.0 NE B:ARG112 4.0 54.1 1.0 CD B:ARG115 4.0 40.7 1.0 CG B:ARG115 4.1 40.6 1.0 CA B:GLU178 4.1 45.8 1.0 CB B:THR179 4.2 42.7 1.0 CA B:THR179 4.2 42.2 1.0 C B:GLU178 4.3 43.9 1.0 NE B:ARG115 4.4 41.2 1.0 OG1 B:THR179 4.5 41.4 1.0 CB B:GLU178 4.5 49.2 1.0 CB B:ARG115 4.5 40.2 1.0 C B:THR179 4.6 40.4 1.0 CD B:GLU178 5.0 63.0 1.0

Chlorine binding site 3 out of 4 in the Structure of L509V CAO1 - Growth Condition 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of L509V CAO1 - Growth Condition 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl602 b:59.7 occ:1.00 O C:HOH840 2.7 61.8 1.0 NH2 C:ARG112 3.0 56.0 1.0 N C:THR179 3.3 39.6 1.0 CG C:GLU178 3.7 57.3 1.0 O C:THR179 3.8 36.5 1.0 O C:HOH737 3.9 32.8 1.0 CZ C:ARG112 4.0 54.5 1.0 CD C:ARG115 4.0 42.0 1.0 CB C:THR179 4.0 38.8 1.0 NE C:ARG112 4.0 49.1 1.0 CA C:GLU178 4.1 44.4 1.0 CG C:ARG115 4.1 39.8 1.0 CA C:THR179 4.1 40.4 1.0 C C:GLU178 4.2 41.5 1.0 OG1 C:THR179 4.4 39.0 1.0 C C:THR179 4.4 39.3 1.0 CB C:GLU178 4.4 48.6 1.0 NE C:ARG115 4.5 41.2 1.0 CB C:ARG115 4.5 38.7 1.0 CD C:GLU178 4.9 63.9 1.0

Chlorine binding site 4 out of 4 in the Structure of L509V CAO1 - Growth Condition 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of L509V CAO1 - Growth Condition 1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl602 b:58.2 occ:1.00 NH2 D:ARG112 3.0 55.4 1.0 N D:THR179 3.3 43.9 1.0 CG D:GLU178 3.8 57.6 1.0 O D:THR179 3.8 43.4 1.0 CZ D:ARG112 3.9 56.7 1.0 O D:HOH718 3.9 36.9 1.0 NE D:ARG112 4.0 55.7 1.0 CA D:GLU178 4.0 47.4 1.0 CB D:THR179 4.0 46.0 1.0 CD D:ARG115 4.1 45.3 1.0 CA D:THR179 4.1 47.0 1.0 C D:GLU178 4.1 44.7 1.0 CG D:ARG115 4.2 45.5 1.0 OG1 D:THR179 4.4 44.3 1.0 CB D:GLU178 4.4 50.0 1.0 C D:THR179 4.4 45.4 1.0 NE D:ARG115 4.5 45.5 1.0 CB D:ARG115 4.5 44.2 1.0

N.Khadka, E.R.Farquhar, H.E.Hill, W.Shi, J.Von Lintig, P.D.Kiser. Evidence For Distinct Rate-Limiting Steps in the Cleavage of Alkenes By Carotenoid Cleavage Dioxygenases. J.Biol.Chem. V. 294 10596 2019.
ISSN: ESSN 1083-351X
PubMed: 31138651
DOI: 10.1074/JBC.RA119.007535