Chlorine in PDB 5eou: Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp

The structure of Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp, PDB code: 5eou was solved by M.Mccallum, S.Tammam, H.Robinson, M.Shah, C.Calmettes, T.Moraes, L.Burrows, L.P.Howell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.50 / 2.40
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	131.790, 131.790, 78.993, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 23.9

The structure of Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp (pdb code 5eou). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp, PDB code: 5eou:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:94.4 occ:1.00 O A:LEU363 3.3 61.1 1.0 CB A:ALA123 3.5 58.8 1.0 O A:HOH520 3.6 59.9 1.0 CA A:ALA123 3.6 59.5 1.0 CA A:PRO365 3.8 75.0 1.0 N A:PRO365 3.8 71.2 1.0 N A:ILE124 4.0 60.5 1.0 CB A:PRO365 4.1 72.0 1.0 C A:LEU364 4.2 71.4 1.0 C A:ALA123 4.2 58.1 1.0 C A:LEU363 4.3 63.3 1.0 CD A:PRO365 4.3 70.5 1.0 O3 A:SO4405 4.3 0.0 1.0 O A:LEU364 4.3 78.6 1.0 O A:ILE124 4.5 79.8 1.0 CG A:PRO365 4.7 73.0 1.0 N A:ALA123 4.9 63.0 1.0 CA A:LEU364 4.9 66.3 1.0

Chlorine binding site 2 out of 4 in the Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:99.4 occ:1.00 NH1 B:ARG154 2.7 75.5 1.0 N B:ILE54 3.3 49.5 1.0 OD1 B:ASN150 3.6 74.6 1.0 CA B:ASN53 3.7 51.9 1.0 OD1 B:ASN53 3.7 66.2 1.0 O B:LYS52 3.9 64.0 1.0 CZ B:ARG154 4.0 71.8 1.0 C B:ASN53 4.0 51.4 1.0 CA B:ASN150 4.1 60.2 1.0 CG B:ASN150 4.1 73.9 1.0 O B:ASN150 4.1 62.2 1.0 O B:HOH512 4.2 55.4 1.0 CB B:ASN150 4.2 65.3 1.0 CG1 B:ILE54 4.2 50.9 1.0 CB B:ILE54 4.2 48.6 1.0 CB B:ASN53 4.3 58.2 1.0 CA B:ILE54 4.3 48.7 1.0 CG B:ASN53 4.4 62.0 1.0 C B:ASN150 4.6 59.3 1.0 NH2 B:ARG154 4.6 76.5 1.0 N B:ASN53 4.7 53.4 1.0 C B:LYS52 4.7 59.2 1.0 CG B:ARG154 4.7 52.7 1.0 CD1 B:ILE54 4.8 52.6 1.0 O B:ILE54 4.9 48.7 1.0 CG1 B:VAL153 4.9 69.6 1.0 CB B:VAL153 4.9 64.6 1.0 NE B:ARG154 4.9 62.7 1.0 CD B:ARG154 5.0 56.8 1.0

Chlorine binding site 3 out of 4 in the Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:69.5 occ:1.00 OG1 B:THR229 3.1 48.0 1.0 O3' B:ATP401 3.1 63.1 0.8 CB B:THR229 3.7 45.9 1.0 O2' B:ATP401 3.7 71.1 0.8 NZ B:LYS247 3.7 49.9 1.0 CA B:ARG226 3.8 44.8 1.0 C3' B:ATP401 4.0 65.7 0.8 CG2 B:THR229 4.0 47.2 1.0 CB B:ARG226 4.1 47.0 1.0 N B:ARG226 4.2 44.6 1.0 O B:GLY225 4.4 41.5 1.0 CG B:ARG226 4.4 51.2 1.0 NE B:ARG226 4.4 71.6 1.0 C2' B:ATP401 4.5 68.6 0.8 C B:GLY225 4.5 40.1 1.0 CB B:ALA202 4.5 58.3 1.0 C B:ARG226 4.9 42.3 1.0 CG2 B:THR20 5.0 71.9 1.0

Chlorine binding site 4 out of 4 in the Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Pseudomonas Aeruginosa Pilm:PILN1-12 Bound to Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl407 b:0.9 occ:1.00 CD B:ARG66 3.8 70.8 1.0 CG B:ARG66 3.9 66.3 1.0 O B:HOH554 4.2 71.7 1.0 NE B:ARG66 4.7 74.9 1.0

M.Mccallum, S.Tammam, D.J.Little, H.Robinson, J.Koo, M.Shah, C.Calmettes, T.F.Moraes, L.L.Burrows, P.L.Howell. Piln Binding Modulates the Structure and Binding Partners of the Pseudomonas Aeruginosa Type Iva Pilus Protein Pilm. J.Biol.Chem. V. 291 11003 2016.
ISSN: ESSN 1083-351X
PubMed: 27022027
DOI: 10.1074/JBC.M116.718353