Chlorine in PDB 6n20: Structure of L509V CAO1 - Growth Condition 2

The structure of Structure of L509V CAO1 - Growth Condition 2, PDB code: 6n20 was solved by N.Khadka, W.Shi, P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.47 / 1.95
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.550, 99.550, 447.490, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 20.5

The structure of Structure of L509V CAO1 - Growth Condition 2 also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Structure of L509V CAO1 - Growth Condition 2 (pdb code 6n20). 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 2, PDB code: 6n20:
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 2


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl602 b:58.6 occ:1.00 NH2 D:ARG112 3.1 58.1 1.0 N D:THR179 3.2 39.1 1.0 O D:HOH799 3.7 35.0 1.0 CG D:GLU178 3.7 48.2 1.0 CA D:GLU178 3.9 40.5 1.0 O D:THR179 3.9 39.2 1.0 NE D:ARG112 3.9 53.4 1.0 CZ D:ARG112 4.0 56.4 1.0 C D:GLU178 4.0 38.9 1.0 CD D:ARG115 4.0 42.5 1.0 CG D:ARG115 4.1 41.7 1.0 CB D:THR179 4.1 37.7 1.0 CA D:THR179 4.1 37.8 1.0 CB D:GLU178 4.2 43.1 1.0 NE D:ARG115 4.4 44.4 1.0 OG1 D:THR179 4.4 35.6 1.0 C D:THR179 4.5 38.5 1.0 CB D:ARG115 4.6 38.9 1.0 CD D:GLU178 4.9 52.6 1.0 CZ D:ARG115 4.9 42.8 1.0

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


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:56.4 occ:1.00 NH2 A:ARG112 3.1 54.7 1.0 N A:THR179 3.2 38.7 1.0 O A:HOH746 3.7 33.0 1.0 CG A:GLU178 3.8 53.6 1.0 CA A:GLU178 3.9 43.2 1.0 NE A:ARG112 3.9 51.0 1.0 O A:THR179 3.9 39.2 1.0 CZ A:ARG112 4.0 53.1 1.0 CD A:ARG115 4.0 44.5 1.0 C A:GLU178 4.0 39.9 1.0 CB A:THR179 4.1 37.3 1.0 CG A:ARG115 4.1 42.6 1.0 CA A:THR179 4.1 38.3 1.0 CB A:GLU178 4.3 47.6 1.0 NE A:ARG115 4.3 45.7 1.0 OG1 A:THR179 4.4 35.8 1.0 C A:THR179 4.5 38.4 1.0 CB A:ARG115 4.6 39.4 1.0 O A:HOH702 4.7 68.9 1.0 CZ A:ARG115 4.9 43.6 1.0

Chlorine binding site 3 out of 4 in the Structure of L509V CAO1 - Growth Condition 2


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl602 b:57.6 occ:1.00 N C:THR179 3.0 37.2 1.0 NH2 C:ARG112 3.3 58.3 1.0 O C:HOH892 3.6 61.8 1.0 O C:HOH759 3.6 33.5 1.0 CG C:GLU178 3.6 50.8 1.0 CA C:GLU178 3.7 40.9 1.0 O C:THR179 3.8 38.4 1.0 C C:GLU178 3.8 38.7 1.0 CA C:THR179 3.9 38.0 1.0 NE C:ARG112 3.9 53.5 1.0 CB C:THR179 3.9 37.3 1.0 CD C:ARG115 4.1 42.0 1.0 CZ C:ARG112 4.1 57.6 1.0 CG C:ARG115 4.1 42.1 1.0 CB C:GLU178 4.1 44.8 1.0 OG1 C:THR179 4.2 35.6 1.0 C C:THR179 4.3 38.4 1.0 NE C:ARG115 4.4 44.8 1.0 CB C:ARG115 4.6 39.4 1.0 CD C:GLU178 4.9 56.7 1.0 N C:GLU178 5.0 40.3 1.0 O C:LEU177 5.0 39.0 1.0

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


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 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:53.8 occ:1.00 NH2 B:ARG112 3.2 52.8 1.0 N B:THR179 3.2 37.0 1.0 CG B:GLU178 3.6 52.0 1.0 CA B:GLU178 3.8 41.3 1.0 O B:HOH773 3.8 33.2 1.0 O B:THR179 3.9 38.1 1.0 NE B:ARG112 3.9 50.8 1.0 C B:GLU178 4.0 38.3 1.0 CZ B:ARG112 4.0 53.0 1.0 CA B:THR179 4.1 36.6 1.0 CD B:ARG115 4.1 40.0 1.0 CG B:ARG115 4.1 39.9 1.0 CB B:THR179 4.1 36.2 1.0 CB B:GLU178 4.2 46.0 1.0 OG1 B:THR179 4.4 35.5 1.0 NE B:ARG115 4.4 42.0 1.0 C B:THR179 4.5 37.4 1.0 CB B:ARG115 4.6 37.4 1.0 CD B:GLU178 4.8 56.9 1.0 O B:HOH873 4.8 64.0 1.0 OE2 B:GLU178 5.0 62.6 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