Fluorine in PDB 8dla: CLPP2 From Chlamydia Trachomatis Bound By MAS1-12

All present enzymatic activity of CLPP2 From Chlamydia Trachomatis Bound By MAS1-12:
3.4.21.92;

The structure of CLPP2 From Chlamydia Trachomatis Bound By MAS1-12, PDB code: 8dla was solved by J.Azadmanesh, L.R.Struble, M.A.Seleem, S.Ouellette, M.Conda-Sheridan, G.E.O.Borgstahl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.09 / 2.66
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	97, 98.01, 97.97, 97.16, 114.15, 114.16
R / Rfree (%)	17.4 / 21

The structure of CLPP2 From Chlamydia Trachomatis Bound By MAS1-12 also contains other interesting chemical elements:

Sodium	(Na)	8 atoms
Chlorine	(Cl)	6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Fluorine atom in the CLPP2 From Chlamydia Trachomatis Bound By MAS1-12 (pdb code 8dla). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 18 binding sites of Fluorine where determined in the CLPP2 From Chlamydia Trachomatis Bound By MAS1-12, PDB code: 8dla:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 18 in the CLPP2 From Chlamydia Trachomatis Bound By MAS1-12


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of CLPP2 From Chlamydia Trachomatis Bound By MAS1-12 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:75.8 occ:1.00 F01 A:UER301 0.0 75.8 1.0 C21 A:UER301 1.4 77.9 1.0 F03 A:UER301 2.2 84.9 1.0 F02 A:UER301 2.2 77.5 1.0 C01 A:UER301 2.4 88.5 1.0 C02 A:UER301 2.8 92.2 1.0 C05 A:UER301 3.6 88.0 1.0 NE2 A:GLN61 3.6 38.5 1.0 N01 A:UER301 4.1 96.0 1.0 OE1 A:GLN61 4.1 29.6 1.0 CD A:GLN61 4.2 35.8 1.0 C04 A:UER301 4.7 96.9 1.0 C03 A:UER301 4.8 104.0 1.0

Fluorine binding site 2 out of 18 in the CLPP2 From Chlamydia Trachomatis Bound By MAS1-12


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of CLPP2 From Chlamydia Trachomatis Bound By MAS1-12 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:77.5 occ:1.00 F02 A:UER301 0.0 77.5 1.0 C21 A:UER301 1.4 77.9 1.0 F01 A:UER301 2.2 75.8 1.0 F03 A:UER301 2.2 84.9 1.0 C01 A:UER301 2.4 88.5 1.0 C05 A:UER301 2.7 88.0 1.0 OE1 A:GLN61 3.3 29.6 1.0 NE2 A:GLN61 3.6 38.5 1.0 C02 A:UER301 3.6 92.2 1.0 CD A:GLN61 3.9 35.8 1.0 C04 A:UER301 4.1 96.9 1.0 N01 A:UER301 4.7 96.0 1.0 C03 A:UER301 4.9 104.0 1.0

Fluorine binding site 3 out of 18 in the CLPP2 From Chlamydia Trachomatis Bound By MAS1-12


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of CLPP2 From Chlamydia Trachomatis Bound By MAS1-12 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:84.9 occ:1.00 F03 A:UER301 0.0 84.9 1.0 C21 A:UER301 1.4 77.9 1.0 F01 A:UER301 2.2 75.8 1.0 F02 A:UER301 2.2 77.5 1.0 C01 A:UER301 2.4 88.5 1.0 C02 A:UER301 3.1 92.2 1.0 C05 A:UER301 3.3 88.0 1.0 N01 A:UER301 4.3 96.0 1.0 O F:HOH417 4.5 24.7 1.0 C04 A:UER301 4.5 96.9 1.0 C03 A:UER301 4.9 104.0 1.0

Fluorine binding site 4 out of 18 in the CLPP2 From Chlamydia Trachomatis Bound By MAS1-12


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of CLPP2 From Chlamydia Trachomatis Bound By MAS1-12 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:80.0 occ:1.00 F01 A:UER302 0.0 80.0 1.0 C21 A:UER302 1.4 71.7 1.0 F03 A:UER302 2.2 66.7 1.0 F02 A:UER302 2.2 67.9 1.0 C01 A:UER302 2.4 67.7 1.0 CE2 C:PHE63 2.9 41.2 1.0 C02 A:UER302 3.2 71.1 1.0 C05 A:UER302 3.3 68.5 1.0 CD1 C:ILE93 3.3 54.5 1.0 CD2 C:PHE63 3.3 36.6 1.0 CD2 A:LEU49 3.8 34.7 1.0 CG1 C:ILE93 3.8 47.9 1.0 CZ C:PHE63 4.0 50.5 1.0 CD1 A:LEU49 4.2 41.2 1.0 N01 A:UER302 4.4 73.0 1.0 C04 A:UER302 4.5 68.8 1.0 CG C:PHE63 4.6 33.6 1.0 CB C:TYR91 4.6 34.2 1.0 CG A:LEU49 4.6 36.1 1.0 CE1 A:PHE83 4.7 75.6 1.0 CD1 A:PHE83 4.8 71.5 1.0 CG C:TYR91 4.8 36.8 1.0 CD1 C:LEU115 4.8 34.9 1.0 CD2 C:TYR91 4.8 37.3 1.0 C03 A:UER302 4.9 71.0 1.0 CZ A:PHE83 4.9 71.2 1.0

Fluorine binding site 5 out of 18 in the CLPP2 From Chlamydia Trachomatis Bound By MAS1-12


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of CLPP2 From Chlamydia Trachomatis Bound By MAS1-12 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:67.9 occ:1.00 F02 A:UER302 0.0 67.9 1.0 C21 A:UER302 1.4 71.7 1.0 F01 A:UER302 2.2 80.0 1.0 F03 A:UER302 2.2 66.7 1.0 C01 A:UER302 2.4 67.7 1.0 C05 A:UER302 2.8 68.5 1.0 CZ A:PHE83 2.9 71.2 1.0 CE2 A:PHE83 3.0 64.4 1.0 CE1 A:PHE83 3.1 75.6 1.0 CD2 A:PHE83 3.3 60.1 1.0 CD1 A:PHE83 3.4 71.5 1.0 CG A:PHE83 3.5 64.6 1.0 C02 A:UER302 3.6 71.1 1.0 CD2 C:LEU115 3.7 35.4 1.0 CD1 C:ILE190 4.1 42.9 1.0 C04 A:UER302 4.2 68.8 1.0 CE2 C:PHE63 4.4 41.2 1.0 CD2 C:TYR91 4.4 37.3 1.0 CG C:LEU115 4.4 33.2 1.0 CD1 C:LEU115 4.5 34.9 1.0 CB A:PHE83 4.5 55.6 1.0 N01 A:UER302 4.7 73.0 1.0 CG1 C:ILE190 4.9 41.9 1.0 C03 A:UER302 4.9 71.0 1.0 CE2 C:TYR91 4.9 42.4 1.0 CG C:TYR91 5.0 36.8 1.0

Fluorine binding site 6 out of 18 in the CLPP2 From Chlamydia Trachomatis Bound By MAS1-12


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of CLPP2 From Chlamydia Trachomatis Bound By MAS1-12 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:66.7 occ:1.00 F03 A:UER302 0.0 66.7 1.0 C21 A:UER302 1.4 71.7 1.0 F01 A:UER302 2.2 80.0 1.0 F02 A:UER302 2.2 67.9 1.0 C01 A:UER302 2.4 67.7 1.0 C02 A:UER302 2.8 71.1 1.0 CD1 A:PHE83 2.8 71.5 1.0 CE1 A:PHE83 3.2 75.6 1.0 CD2 A:LEU49 3.2 34.7 1.0 CG A:PHE83 3.3 64.6 1.0 C05 A:UER302 3.6 68.5 1.0 CB A:PHE83 3.9 55.6 1.0 CZ A:PHE83 3.9 71.2 1.0 CD2 A:PHE83 4.0 60.1 1.0 N01 A:UER302 4.1 73.0 1.0 CE A:MET52 4.1 51.9 1.0 CE2 A:PHE83 4.3 64.4 1.0 CG2 A:THR80 4.5 32.5 1.0 SD A:MET52 4.6 56.3 1.0 CG A:LEU49 4.6 36.1 1.0 CE2 C:PHE63 4.6 41.2 1.0 C04 A:UER302 4.7 68.8 1.0 CD1 A:LEU49 4.9 41.2 1.0 C03 A:UER302 4.9 71.0 1.0 CD1 C:LEU115 5.0 34.9 1.0

Fluorine binding site 7 out of 18 in the CLPP2 From Chlamydia Trachomatis Bound By MAS1-12


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of CLPP2 From Chlamydia Trachomatis Bound By MAS1-12 within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:43.6 occ:1.00 F01 B:UER301 0.0 43.6 1.0 C21 B:UER301 1.4 52.8 1.0 F02 B:UER301 2.2 46.2 1.0 F03 B:UER301 2.2 69.4 1.0 C01 B:UER301 2.4 55.3 1.0 OE1 B:GLN61 3.0 40.0 1.0 C05 B:UER301 3.2 61.4 1.0 C02 B:UER301 3.2 60.4 1.0 CD1 B:ILE29 3.2 31.3 1.0 CD B:GLN61 3.9 38.4 1.0 CZ B:PHE63 4.0 25.6 1.0 CE1 B:PHE63 4.2 24.6 1.0 CG B:GLN61 4.2 34.4 1.0 N01 B:UER301 4.4 67.6 1.0 O L:HOH424 4.4 45.7 1.0 C04 B:UER301 4.4 67.6 1.0 CG1 B:ILE29 4.5 33.5 1.0 CB B:GLN61 4.6 35.1 1.0 C03 B:UER301 4.9 76.7 1.0 OH B:TYR91 4.9 44.4 1.0 NE2 B:GLN61 4.9 48.0 1.0 NZ B:LYS197 5.0 58.0 1.0

Fluorine binding site 8 out of 18 in the CLPP2 From Chlamydia Trachomatis Bound By MAS1-12


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of CLPP2 From Chlamydia Trachomatis Bound By MAS1-12 within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:46.2 occ:1.00 F02 B:UER301 0.0 46.2 1.0 C21 B:UER301 1.4 52.8 1.0 F01 B:UER301 2.2 43.6 1.0 F03 B:UER301 2.2 69.4 1.0 C01 B:UER301 2.4 55.3 1.0 C05 B:UER301 2.8 61.4 1.0 C02 B:UER301 3.6 60.4 1.0 NZ B:LYS197 3.6 58.0 1.0 OE1 B:GLN61 3.8 40.0 1.0 C04 B:UER301 4.1 67.6 1.0 CZ B:PHE63 4.2 25.6 1.0 CE2 L:PHE83 4.3 27.3 1.0 O L:HOH424 4.5 45.7 1.0 SD L:MET52 4.5 56.6 1.0 CZ L:PHE83 4.5 32.6 1.0 OH B:TYR91 4.6 44.4 1.0 N01 B:UER301 4.7 67.6 1.0 CZ B:TYR91 4.8 32.8 1.0 CE B:LYS197 4.8 55.0 1.0 CG2 B:THR196 4.9 63.7 1.0 C03 B:UER301 4.9 76.7 1.0 CD B:GLN61 5.0 38.4 1.0

Fluorine binding site 9 out of 18 in the CLPP2 From Chlamydia Trachomatis Bound By MAS1-12


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of CLPP2 From Chlamydia Trachomatis Bound By MAS1-12 within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:69.4 occ:1.00 F03 B:UER301 0.0 69.4 1.0 C21 B:UER301 1.4 52.8 1.0 F01 B:UER301 2.2 43.6 1.0 F02 B:UER301 2.2 46.2 1.0 C01 B:UER301 2.4 55.3 1.0 O L:HOH424 2.4 45.7 1.0 C02 B:UER301 2.8 60.4 1.0 NZ B:LYS197 3.5 58.0 1.0 C05 B:UER301 3.6 61.4 1.0 SD L:MET52 3.9 56.6 1.0 N01 B:UER301 4.1 67.6 1.0 OG L:SER53 4.3 48.4 1.0 C04 B:UER301 4.7 67.6 1.0 CE B:LYS197 4.7 55.0 1.0 CG L:MET52 4.8 51.1 1.0 C03 B:UER301 4.8 76.7 1.0 CD1 B:ILE29 4.9 31.3 1.0 OE1 B:GLN61 5.0 40.0 1.0

Fluorine binding site 10 out of 18 in the CLPP2 From Chlamydia Trachomatis Bound By MAS1-12


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of CLPP2 From Chlamydia Trachomatis Bound By MAS1-12 within 5.0Å range: probe atom residue distance (Å) B Occ D:F301 b:73.3 occ:1.00 F01 D:UER301 0.0 73.3 1.0 C21 D:UER301 1.4 71.2 1.0 F02 D:UER301 2.2 70.3 1.0 F03 D:UER301 2.2 74.1 1.0 C01 D:UER301 2.4 63.8 1.0 C02 D:UER301 2.7 70.6 1.0 CD1 G:PHE83 3.0 58.7 1.0 CG G:PHE83 3.1 52.3 1.0 CB G:PHE83 3.5 47.1 1.0 CE1 G:PHE83 3.5 65.9 1.0 C05 D:UER301 3.7 64.5 1.0 CD2 G:PHE83 3.8 54.9 1.0 N01 D:UER301 4.0 78.0 1.0 CZ G:PHE83 4.1 58.6 1.0 CG2 G:THR80 4.3 29.0 1.0 CE2 G:PHE83 4.3 50.9 1.0 C04 D:UER301 4.8 73.2 1.0 CA G:THR80 4.8 30.9 1.0 CD2 D:LEU115 4.8 37.0 1.0 O G:THR80 4.8 36.4 1.0 C03 D:UER301 4.9 76.0 1.0 CE2 D:PHE63 4.9 44.5 1.0 CA G:PHE83 4.9 45.0 1.0 CD1 D:ILE93 5.0 57.6 1.0 CD1 D:LEU115 5.0 32.5 1.0

J.Azadmanesh, L.R.Struble, G.E.O.Borgstahl, S.Ouellette, M.Conda Sheridan. CLPP2 From Chlamydia Trachomatis with Resolved Handle Loop To Be Published.