Chlorine in PDB 4iik: Legionella Pneumophila Effector

The structure of Legionella Pneumophila Effector, PDB code: 4iik was solved by I.Tascon, Y.Chen, M.R.Neunuebel, A.L.Rojas, M.P.Machner, A.Hierro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.54 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.250, 71.520, 88.150, 90.00, 90.00, 90.00
R / Rfree (%)	12.1 / 16.8

The structure of Legionella Pneumophila Effector also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Legionella Pneumophila Effector (pdb code 4iik). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Legionella Pneumophila Effector, PDB code: 4iik:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Legionella Pneumophila Effector within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:59.2 occ:1.00 CG A:MET37 3.1 80.3 1.0 CG A:LEU129 3.7 21.0 0.5 CA A:MET37 3.8 60.0 1.0 O A:HOH623 3.9 39.1 1.0 CA A:PRO130 4.0 16.1 1.0 CB A:MET37 4.0 74.3 1.0 N A:ARG38 4.1 44.9 1.0 N A:SER39 4.1 28.0 1.0 N A:PRO130 4.1 16.8 1.0 CD2 A:LEU129 4.2 21.9 0.5 O A:LEU129 4.2 17.3 1.0 C A:LEU129 4.2 16.3 1.0 SD A:MET37 4.2 84.1 1.0 CB A:SER39 4.2 27.6 1.0 O A:HOH514 4.2 24.6 1.0 OG A:SER39 4.4 34.8 1.0 CB A:LEU129 4.4 18.2 0.5 CG A:PRO130 4.4 19.8 1.0 C A:MET37 4.4 49.9 1.0 CB A:LEU129 4.5 20.4 0.5 CD A:PRO130 4.6 16.8 1.0 CB A:PRO130 4.6 18.8 1.0 CD1 A:LEU129 4.7 25.2 0.5 CA A:SER39 4.8 23.3 1.0 CA A:LEU129 5.0 17.2 0.5

Chlorine binding site 2 out of 13 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Legionella Pneumophila Effector within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:32.0 occ:1.00 O A:HOH751 2.9 41.7 1.0 N A:LEU166 3.2 16.4 1.0 CA A:ALA164 3.3 17.5 1.0 C A:ALA164 3.4 17.2 1.0 N A:PRO165 3.5 18.6 1.0 CD A:PRO165 3.6 19.0 1.0 CB A:LEU166 3.6 13.4 1.0 CA A:LEU166 3.9 14.3 1.0 O A:HOH612 4.0 31.9 1.0 CB A:ALA119 4.0 16.9 1.0 CG A:LEU166 4.0 13.9 1.0 CG A:PRO165 4.0 21.3 1.0 CB A:ALA164 4.0 18.6 1.0 O A:ALA164 4.0 17.0 1.0 N A:ALA167 4.2 15.3 1.0 C A:PRO165 4.2 14.9 1.0 CA A:PRO165 4.4 17.9 1.0 C A:LEU166 4.4 14.3 1.0 O A:HIS163 4.5 21.0 1.0 N A:ALA164 4.5 18.7 1.0 CD1 A:LEU166 4.6 15.1 1.0 CB A:PRO165 4.8 21.4 1.0 C A:HIS163 4.9 19.3 1.0

Chlorine binding site 3 out of 13 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Legionella Pneumophila Effector within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:47.4 occ:1.00 O A:HOH577 3.1 39.9 1.0 CA A:ASN227 3.2 29.0 1.0 N A:LEU230 3.3 21.4 1.0 C A:ASN227 3.3 26.5 1.0 CB A:ASN227 3.4 36.6 1.0 N A:ASP229 3.4 23.5 1.0 O A:ASN227 3.6 25.7 1.0 CG A:LEU230 3.7 30.2 1.0 N A:ILE228 3.7 22.7 1.0 CB A:ASP229 3.8 27.4 1.0 CA A:ASP229 3.9 25.2 1.0 C A:ASP229 4.0 24.1 1.0 CB A:LEU230 4.1 23.3 1.0 CA A:LEU230 4.3 20.7 1.0 C A:ILE228 4.3 21.2 1.0 CD1 A:LEU230 4.3 34.1 1.0 N A:ASN227 4.6 30.4 1.0 CA A:ILE228 4.7 20.0 1.0 CD2 A:LEU230 4.7 36.4 1.0 O A:HOH573 4.8 37.6 1.0 CG A:ASP229 4.8 36.6 1.0 CG A:ASN227 4.9 51.2 1.0 O A:ALA226 4.9 34.2 1.0 OD2 A:ASP229 5.0 39.5 1.0

Chlorine binding site 4 out of 13 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Legionella Pneumophila Effector within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:56.3 occ:1.00 N A:GLN338 3.1 25.6 1.0 O A:HOH756 3.2 62.2 1.0 O A:HOH728 3.5 36.2 1.0 CB A:ASP337 3.5 25.6 1.0 CB A:GLN338 3.7 27.9 1.0 CA A:ASP337 3.8 22.8 1.0 O A:HOH659 3.9 43.2 1.0 C A:ASP337 4.0 23.5 1.0 CA A:GLN338 4.0 23.5 1.0 CG A:PRO244 4.0 22.7 1.0 CG A:ASP337 4.7 29.7 1.0 O A:HOH757 4.7 55.4 1.0 O A:HOH731 4.7 57.0 1.0 CB A:PRO244 4.9 20.2 1.0

Chlorine binding site 5 out of 13 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Legionella Pneumophila Effector within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:75.9 occ:1.00 CD A:LYS162 3.7 30.9 1.0 NE2 A:HIS163 3.9 27.4 1.0 CB A:LYS162 4.1 20.2 1.0 CG A:LYS162 4.1 24.1 1.0 CE1 A:HIS163 4.2 24.0 1.0 CE A:LYS162 4.3 45.1 1.0 O A:HOH678 4.5 45.7 1.0 CD2 A:HIS163 4.8 22.3 1.0

Chlorine binding site 6 out of 13 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Legionella Pneumophila Effector within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:76.1 occ:1.00 O A:GLU259 2.9 19.1 1.0 O2 A:GOL416 3.6 35.5 1.0 O A:PRO256 3.6 16.9 1.0 C A:GLU259 3.7 18.0 1.0 O A:HOH520 3.9 22.4 1.0 CA A:MET260 4.2 19.1 0.5 CA A:MET260 4.3 18.9 0.5 O A:HOH614 4.3 37.2 1.0 N A:MET260 4.4 17.5 1.0 CA A:GLU259 4.7 18.0 1.0 CB A:GLU259 4.7 16.7 1.0 C A:PRO256 4.7 18.9 1.0 C2 A:GOL416 4.8 36.1 1.0 N A:GLU259 4.8 16.1 1.0 C A:MET260 4.8 20.7 1.0 O A:HOH537 4.8 29.6 1.0 CA A:MET257 4.9 18.9 1.0 C1 A:GOL416 4.9 29.7 1.0 N A:THR261 5.0 21.3 1.0

Chlorine binding site 7 out of 13 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Legionella Pneumophila Effector within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:73.4 occ:1.00 O A:HOH768 2.4 50.9 1.0 O A:HOH734 3.3 53.2 1.0 O A:LYS162 3.5 23.0 1.0 C A:LYS162 4.4 19.9 1.0

Chlorine binding site 8 out of 13 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Legionella Pneumophila Effector within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl410 b:62.8 occ:1.00 O A:HOH563 3.0 35.4 1.0 OG A:SER158 3.2 14.7 0.5 CB A:SER158 3.7 21.9 0.5 CB A:SER158 3.7 15.5 0.5 CD2 A:LEU159 3.8 18.8 1.0 O A:HOH622 3.9 45.7 1.0 CG A:LEU159 4.0 13.8 1.0 CE A:LYS162 4.2 45.1 1.0 N A:LEU159 4.3 15.4 1.0 CD A:LYS162 4.3 30.9 1.0 C A:SER158 4.5 18.7 1.0 OG A:SER158 4.5 27.6 0.5 O A:THR155 4.5 15.7 1.0 NZ A:LYS162 4.6 46.7 1.0 O A:HOH678 4.7 45.7 1.0 CG2 A:THR155 4.7 16.7 1.0 CA A:SER158 4.8 17.3 0.5 CA A:SER158 4.8 16.4 0.5 CA A:LEU159 4.8 15.7 1.0

Chlorine binding site 9 out of 13 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Legionella Pneumophila Effector within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl411 b:79.2 occ:1.00 O A:HOH630 2.9 29.7 1.0 O A:HOH624 3.2 31.7 1.0 OH A:TYR177 3.2 18.6 1.0 ND2 A:ASN239 3.5 22.7 1.0 O A:HOH617 3.9 38.4 1.0 CE2 A:PHE184 4.0 25.7 1.0 CD2 A:PHE184 4.1 21.4 1.0 CZ A:PHE184 4.2 26.7 1.0 CZ A:TYR177 4.3 14.9 1.0 CD A:LYS179 4.4 28.1 1.0 O A:HOH546 4.4 30.2 1.0 CG A:PHE184 4.4 20.2 1.0 CE1 A:TYR177 4.5 17.1 1.0 CG A:ASN239 4.5 16.3 1.0 CE1 A:PHE184 4.6 23.7 1.0 CD1 A:PHE184 4.6 22.7 1.0 OD1 A:ASN239 4.6 19.8 1.0 O A:HOH753 4.9 41.3 1.0

Chlorine binding site 10 out of 13 in the Legionella Pneumophila Effector


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Legionella Pneumophila Effector within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl412 b:34.6 occ:1.00 N A:GLY114 3.2 19.9 1.0 O A:HOH535 3.3 24.3 1.0 CA A:TYR113 3.8 16.4 1.0 C A:TYR113 4.0 18.5 1.0 O A:HOH743 4.0 45.6 1.0 CD1 A:TYR113 4.2 18.4 1.0 CA A:GLY114 4.2 18.6 1.0 O A:PHE112 4.3 21.3 1.0 CB A:TYR113 4.3 16.4 1.0 CG A:TYR113 4.8 16.1 1.0 N A:TYR113 4.9 17.9 1.0

Y.Chen, I.Tascon, M.R.Neunuebel, C.Pallara, J.Brady, L.N.Kinch, J.Fernandez-Recio, A.L.Rojas, M.P.Machner, A.Hierro. Structural Basis For RAB1 De-Ampylation By the Legionella Pneumophila Effector Sidd Plos Pathog. V. 9 03382 2013.
ISSN: ISSN 1553-7366
PubMed: 23696742
DOI: 10.1371/JOURNAL.PPAT.1003382